6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C31H27ClN4O5S — CID 59335692

IUPAC6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C31H27ClN4O5S/c1-42(39,40)35-31(38)27(17-21-7-14-26(15-8-21)41-20-22-5-3-2-4-6-22)34-30(37)28-19-36-18-24(11-16-29(36)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,37)(H,35,38)
InChIKeyMWESQRARTGLRGI-UHFFFAOYSA-N
MW603.10 g/mol
LogP4.65
Rot. Bonds10

About 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59335692) has the molecular formula C31H27ClN4O5S and a molecular weight of 603.10 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59335692
Molecular FormulaC31H27ClN4O5S
Molecular Weight603.10 g/mol
Exact Mass602.14
IUPAC Name6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C31H27ClN4O5S/c1-42(39,40)35-31(38)27(17-21-7-14-26(15-8-21)41-20-22-5-3-2-4-6-22)34-30(37)28-19-36-18-24(11-16-29(36)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,37)(H,35,38)
InChIKeyMWESQRARTGLRGI-UHFFFAOYSA-N
XLogP4.65
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.10
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 59335692) is 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MWESQRARTGLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O5S/c1-42(39,40)35-31(38)27(17-21-7-14-26(15-8-21)41-20-22-5-3-2-4-6-22)34-30(37)28-19-36-18-24(11-16-29(36)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,37)(H,35,38).
What are the key properties of 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 603.10 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[1-(methanesulfonamido)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59335692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).