1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

C25H33N3O5S — CID 156781886

IUPAC1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(NC[C@@H](C)O)n3)CC2)c1
InChIInChI=1S/C25H33N3O5S/c1-17-11-12-20(19-7-4-3-5-8-19)21(15-17)33-25(13-14-25)24(30)28-34(31,32)23-10-6-9-22(27-23)26-16-18(2)29/h6,9-12,15,18-19,29H,3-5,7-8,13-14,16H2,1-2H3,(H,26,27)(H,28,30)/t18-/m1/s1
InChIKeyUQTZMSWSSWNFPX-GOSISDBHSA-N
MW487.62 g/mol
LogP3.65
Rot. Bonds9

About 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide

1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (PubChem CID 156781886) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
PubChem CID156781886
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(NC[C@@H](C)O)n3)CC2)c1
InChIInChI=1S/C25H33N3O5S/c1-17-11-12-20(19-7-4-3-5-8-19)21(15-17)33-25(13-14-25)24(30)28-34(31,32)23-10-6-9-22(27-23)26-16-18(2)29/h6,9-12,15,18-19,29H,3-5,7-8,13-14,16H2,1-2H3,(H,26,27)(H,28,30)/t18-/m1/s1
InChIKeyUQTZMSWSSWNFPX-GOSISDBHSA-N
XLogP3.65
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide (CID 156781886) is 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(NC[C@@H](C)O)n3)CC2)c1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is UQTZMSWSSWNFPX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-17-11-12-20(19-7-4-3-5-8-19)21(15-17)33-25(13-14-25)24(30)28-34(31,32)23-10-6-9-22(27-23)26-16-18(2)29/h6,9-12,15,18-19,29H,3-5,7-8,13-14,16H2,1-2H3,(H,26,27)(H,28,30)/t18-/m1/s1.
What are the key properties of 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide?
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 156781886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).