2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide

C15H25N3O3S — CID 119739311

IUPAC2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1
InChIInChI=1S/C15H25N3O3S/c1-5-9-15(4,16)14(19)17-12-7-8-13(11(3)10-12)18-22(20,21)6-2/h7-8,10,18H,5-6,9,16H2,1-4H3,(H,17,19)
InChIKeyCRYKPBXNIWHSTM-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide

2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide (PubChem CID 119739311) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
PubChem CID119739311
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1
InChIInChI=1S/C15H25N3O3S/c1-5-9-15(4,16)14(19)17-12-7-8-13(11(3)10-12)18-22(20,21)6-2/h7-8,10,18H,5-6,9,16H2,1-4H3,(H,17,19)
InChIKeyCRYKPBXNIWHSTM-UHFFFAOYSA-N
XLogP2.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
CID 63020011
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide (CID 119739311) is 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1.
What is the InChIKey of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide?
The InChIKey is CRYKPBXNIWHSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-9-15(4,16)14(19)17-12-7-8-13(11(3)10-12)18-22(20,21)6-2/h7-8,10,18H,5-6,9,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide?
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide has a molecular weight of 327.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide is sourced from PubChem (CID 119739311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).