(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide

C12H18N4O4S — CID 31268630

IUPAC(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N4O4S/c1-8(11(17)15-12(18)13-2)14-9-4-6-10(7-5-9)16-21(3,19)20/h4-8,14,16H,1-3H3,(H2,13,15,17,18)/t8-/m1/s1
InChIKeyJJQVWPKNKQIDNK-MRVPVSSYSA-N
MW314.37 g/mol
LogP0.31
Rot. Bonds5

About (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide

(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide (PubChem CID 31268630) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
PubChem CID31268630
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N4O4S/c1-8(11(17)15-12(18)13-2)14-9-4-6-10(7-5-9)16-21(3,19)20/h4-8,14,16H,1-3H3,(H2,13,15,17,18)/t8-/m1/s1
InChIKeyJJQVWPKNKQIDNK-MRVPVSSYSA-N
XLogP0.31
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide (CID 31268630) is (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide?
The InChIKey is JJQVWPKNKQIDNK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8(11(17)15-12(18)13-2)14-9-4-6-10(7-5-9)16-21(3,19)20/h4-8,14,16H,1-3H3,(H2,13,15,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 31268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).