2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide

C18H23N3O3S — CID 119293447

IUPAC2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-3-7-16(19)18(22)20-15-11-10-13(2)17(12-15)25(23,24)21-14-8-5-4-6-9-14/h4-6,8-12,16,21H,3,7,19H2,1-2H3,(H,20,22)
InChIKeyKHFJYGSQVIPKNY-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.86
Rot. Bonds7

About 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide

2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide (PubChem CID 119293447) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
PubChem CID119293447
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-3-7-16(19)18(22)20-15-11-10-13(2)17(12-15)25(23,24)21-14-8-5-4-6-9-14/h4-6,8-12,16,21H,3,7,19H2,1-2H3,(H,20,22)
InChIKeyKHFJYGSQVIPKNY-UHFFFAOYSA-N
XLogP2.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide (CID 119293447) is 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide?
The InChIKey is KHFJYGSQVIPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-7-16(19)18(22)20-15-11-10-13(2)17(12-15)25(23,24)21-14-8-5-4-6-9-14/h4-6,8-12,16,21H,3,7,19H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide?
2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide has a molecular weight of 361.47 g/mol, XLogP of 2.86, 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-methyl-3-(phenylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 119293447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).