(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide

C24H26N4O5S — CID 118038251

IUPAC(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C24H26N4O5S/c1-17-7-4-5-9-22(17)34(31,32)27-24(30)26-21(15-18-8-6-14-25-16-18)23(29)28(2)19-10-12-20(33-3)13-11-19/h4-14,16,21H,15H2,1-3H3,(H2,26,27,30)/t21-/m0/s1
InChIKeyYXRKRPBVWGLYPI-NRFANRHFSA-N
MW482.56 g/mol
LogP2.66
Rot. Bonds8

About (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide

(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide (PubChem CID 118038251) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide
PubChem CID118038251
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C24H26N4O5S/c1-17-7-4-5-9-22(17)34(31,32)27-24(30)26-21(15-18-8-6-14-25-16-18)23(29)28(2)19-10-12-20(33-3)13-11-19/h4-14,16,21H,15H2,1-3H3,(H2,26,27,30)/t21-/m0/s1
InChIKeyYXRKRPBVWGLYPI-NRFANRHFSA-N
XLogP2.66
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide (CID 118038251) is (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide is COc1ccc(N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide?
The InChIKey is YXRKRPBVWGLYPI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-17-7-4-5-9-22(17)34(31,32)27-24(30)26-21(15-18-8-6-14-25-16-18)23(29)28(2)19-10-12-20(33-3)13-11-19/h4-14,16,21H,15H2,1-3H3,(H2,26,27,30)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide?
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide has a molecular weight of 482.56 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 118038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).