(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide

C20H24N2O4S — CID 8001550

IUPAC(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide
SMILESCOc1ccc(N([C@@H](C)C(=O)NC2CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-19(13-14)27(24,25)22(15(2)20(23)21-16-7-8-16)17-9-11-18(26-3)12-10-17/h4-6,9-13,15-16H,7-8H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyPWXBMMPRUDQSSL-HNNXBMFYSA-N
MW388.49 g/mol
LogP2.87
Rot. Bonds7

About (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide

(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide (PubChem CID 8001550) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide
PubChem CID8001550
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide
SMILESCOc1ccc(N([C@@H](C)C(=O)NC2CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-5-4-6-19(13-14)27(24,25)22(15(2)20(23)21-16-7-8-16)17-9-11-18(26-3)12-10-17/h4-6,9-13,15-16H,7-8H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyPWXBMMPRUDQSSL-HNNXBMFYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2R)-N-cyclopentyl-2-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 125058155
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 132631601
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
N-[4-[(4-methoxyphenyl)-[(1R)-1-(3-methylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 93207362
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132985678
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide (CID 8001550) is (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide is COc1ccc(N([C@@H](C)C(=O)NC2CC2)S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide?
The InChIKey is PWXBMMPRUDQSSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-4-6-19(13-14)27(24,25)22(15(2)20(23)21-16-7-8-16)17-9-11-18(26-3)12-10-17/h4-6,9-13,15-16H,7-8H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide?
(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide is sourced from PubChem (CID 8001550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).