(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

C26H29N3O5S — CID 118038110

IUPAC(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C
InChIInChI=1S/C26H29N3O5S/c1-18-10-8-9-13-24(18)35(32,33)28-26(31)27-22(17-20-11-6-5-7-12-20)25(30)29(3)21-14-15-23(34-4)19(2)16-21/h5-16,22H,17H2,1-4H3,(H2,27,28,31)/t22-/m0/s1
InChIKeyFKIRFDAOIYLGNZ-QFIPXVFZSA-N
MW495.60 g/mol
LogP3.57
Rot. Bonds8

About (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (PubChem CID 118038110) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
PubChem CID118038110
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C
InChIInChI=1S/C26H29N3O5S/c1-18-10-8-9-13-24(18)35(32,33)28-26(31)27-22(17-20-11-6-5-7-12-20)25(30)29(3)21-14-15-23(34-4)19(2)16-21/h5-16,22H,17H2,1-4H3,(H2,27,28,31)/t22-/m0/s1
InChIKeyFKIRFDAOIYLGNZ-QFIPXVFZSA-N
XLogP3.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 135264896
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 118047697
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 118038667
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-thiophen-2-ylpropanamide
CID 118037824
(2S)-N-(1H-benzimidazol-4-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039223
(2S)-3-(3,5-difluorophenyl)-N-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 122523356
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
2-[(2-chlorophenyl)sulfonylcarbamoylamino]-N-(3,4-dihydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 123978616

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (CID 118038110) is (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.
What is the InChIKey of (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The InChIKey is FKIRFDAOIYLGNZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18-10-8-9-13-24(18)35(32,33)28-26(31)27-22(17-20-11-6-5-7-12-20)25(30)29(3)21-14-15-23(34-4)19(2)16-21/h5-16,22H,17H2,1-4H3,(H2,27,28,31)/t22-/m0/s1.
What are the key properties of (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide has a molecular weight of 495.60 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 118038110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).