2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide

C14H23N3O3S — CID 79813982

IUPAC2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-14(15,6-2)13(18)16-11-7-8-12(10(3)9-11)17-21(4,19)20/h7-9,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyKZLKIRPTEPTTOU-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.82
Rot. Bonds6

About 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide

2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide (PubChem CID 79813982) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
PubChem CID79813982
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H23N3O3S/c1-5-14(15,6-2)13(18)16-11-7-8-12(10(3)9-11)17-21(4,19)20/h7-9,17H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyKZLKIRPTEPTTOU-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide (CID 79813982) is 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide?
The InChIKey is KZLKIRPTEPTTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-14(15,6-2)13(18)16-11-7-8-12(10(3)9-11)17-21(4,19)20/h7-9,17H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide?
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide is sourced from PubChem (CID 79813982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).