(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H23N3O7S2 — CID 37065929

IUPAC(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H23N3O7S2/c1-12(20-30(25,26)15-8-6-14(27-2)7-9-15)18(22)19-13-5-10-17(28-3)16(11-13)21-29(4,23)24/h5-12,20-21H,1-4H3,(H,19,22)/t12-/m0/s1
InChIKeyWJXPTRXUKKMVRS-LBPRGKRZSA-N
MW457.53 g/mol
LogP1.38
Rot. Bonds9

About (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 37065929) has the molecular formula C18H23N3O7S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID37065929
Molecular FormulaC18H23N3O7S2
Molecular Weight457.53 g/mol
Exact Mass457.10
IUPAC Name(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H23N3O7S2/c1-12(20-30(25,26)15-8-6-14(27-2)7-9-15)18(22)19-13-5-10-17(28-3)16(11-13)21-29(4,23)24/h5-12,20-21H,1-4H3,(H,19,22)/t12-/m0/s1
InChIKeyWJXPTRXUKKMVRS-LBPRGKRZSA-N
XLogP1.38
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7453372

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 37065929) is (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is WJXPTRXUKKMVRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O7S2/c1-12(20-30(25,26)15-8-6-14(27-2)7-9-15)18(22)19-13-5-10-17(28-3)16(11-13)21-29(4,23)24/h5-12,20-21H,1-4H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 457.53 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 37065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).