N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide

C14H22N4O4S — CID 47079085

IUPACN-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H22N4O4S/c1-5-15-14(20)17-13(19)10(3)16-11-7-6-9(2)12(8-11)18-23(4,21)22/h6-8,10,16,18H,5H2,1-4H3,(H2,15,17,19,20)
InChIKeyBMTYQPLZLHIYDD-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.01
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide

N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide (PubChem CID 47079085) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
PubChem CID47079085
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H22N4O4S/c1-5-15-14(20)17-13(19)10(3)16-11-7-6-9(2)12(8-11)18-23(4,21)22/h6-8,10,16,18H,5H2,1-4H3,(H2,15,17,19,20)
InChIKeyBMTYQPLZLHIYDD-UHFFFAOYSA-N
XLogP1.01
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
CID 37329441
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide (CID 47079085) is N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide?
The InChIKey is BMTYQPLZLHIYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-5-15-14(20)17-13(19)10(3)16-11-7-6-9(2)12(8-11)18-23(4,21)22/h6-8,10,16,18H,5H2,1-4H3,(H2,15,17,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide?
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide has a molecular weight of 342.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide is sourced from PubChem (CID 47079085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).