N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide

C23H28FN5O5S — CID 156549449

IUPACN-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NC1CCN(S(=O)(=O)NC(=O)c2coc(Nc3c4c(c(F)c5c3CCC5)CCC4)n2)CC1
InChIInChI=1S/C23H28FN5O5S/c1-13(30)25-14-8-10-29(11-9-14)35(32,33)28-22(31)19-12-34-23(26-19)27-21-17-6-2-4-15(17)20(24)16-5-3-7-18(16)21/h12,14H,2-11H2,1H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyVCDYVFRFFBOBFE-UHFFFAOYSA-N
MW505.57 g/mol
LogP2.11
Rot. Bonds6

About N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide

N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide (PubChem CID 156549449) has the molecular formula C23H28FN5O5S and a molecular weight of 505.57 g/mol. Its IUPAC name is N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide
PubChem CID156549449
Molecular FormulaC23H28FN5O5S
Molecular Weight505.57 g/mol
Exact Mass505.18
IUPAC NameN-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide
SMILESCC(=O)NC1CCN(S(=O)(=O)NC(=O)c2coc(Nc3c4c(c(F)c5c3CCC5)CCC4)n2)CC1
InChIInChI=1S/C23H28FN5O5S/c1-13(30)25-14-8-10-29(11-9-14)35(32,33)28-22(31)19-12-34-23(26-19)27-21-17-6-2-4-15(17)20(24)16-5-3-7-18(16)21/h12,14H,2-11H2,1H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyVCDYVFRFFBOBFE-UHFFFAOYSA-N
XLogP2.11
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide (CID 156549449) is N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide is CC(=O)NC1CCN(S(=O)(=O)NC(=O)c2coc(Nc3c4c(c(F)c5c3CCC5)CCC4)n2)CC1.
What is the InChIKey of N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide?
The InChIKey is VCDYVFRFFBOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O5S/c1-13(30)25-14-8-10-29(11-9-14)35(32,33)28-22(31)19-12-34-23(26-19)27-21-17-6-2-4-15(17)20(24)16-5-3-7-18(16)21/h12,14H,2-11H2,1H3,(H,25,30)(H,26,27)(H,28,31).
What are the key properties of N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide?
N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).