About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate (PubChem CID 160845511) has the molecular formula C178H205F6N25O15S
and a molecular weight of 3080.81 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate (CID 160845511) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1.O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1.O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?
The InChIKey is SIOZPYHGNGUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O2.C30H34FN5O2.C30H33FN4O3.C30H33FN4O2.C29H33FN4O3S.C28H37FN4O3/c32-25-9-10-27-24(19-25)8-11-29(28(27)17-23-7-4-14-33-20-23)35-31(38)21-36-15-12-26(13-16-36)34-30(37)18-22-5-2-1-3-6-22;31-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-32-19-21)35-29(37)20-36-15-12-25(13-16-36)34-30(38)33-24-6-2-1-3-7-24;31-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-32-19-21)34-29(36)20-35-15-12-24(13-16-35)33-30(37)38-25-6-2-1-3-7-25;31-24-9-10-26-23(18-24)8-11-28(27(26)17-21-5-4-14-32-19-21)34-29(36)20-35-15-12-25(13-16-35)33-30(37)22-6-2-1-3-7-22;30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25;1-28(2,3)36-27(35)31-22-10-13-33(14-11-22)18-26(34)32-25-9-6-20-16-21(29)7-8-23(20)24(25)15-19-5-4-12-30-17-19/h1-7,9-10,14,19-20,26,28-29H,8,11-13,15-18,21H2,(H,34,37)(H,35,38);1-7,9-10,14,18-19,25,27-28H,8,11-13,15-17,20H2,(H,35,37)(H2,33,34,38);1-7,9-10,14,18-19,24,27-28H,8,11-13,15-17,20H2,(H,33,37)(H,34,36);1-7,9-10,14,18-19,25,27-28H,8,11-13,15-17,20H2,(H,33,37)(H,34,36);1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35);4-5,7-8,12,16-17,22,24-25H,6,9-11,13-15,18H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate has a molecular weight of 3080.81 g/mol, XLogP of 23.56, 43 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;tert-butyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide;N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide;N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide;phenyl N-[1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 160845511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).