2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide

C19H22F2N2O3S — CID 119338392

IUPAC2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O3S/c1-3-5-17(22)19(24)23-18(13-8-9-15(20)16(21)11-13)12-6-4-7-14(10-12)27(2,25)26/h4,6-11,17-18H,3,5,22H2,1-2H3,(H,23,24)
InChIKeyNUJCVWQPWCATAO-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.70
Rot. Bonds7

About 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide

2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide (PubChem CID 119338392) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
PubChem CID119338392
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O3S/c1-3-5-17(22)19(24)23-18(13-8-9-15(20)16(21)11-13)12-6-4-7-14(10-12)27(2,25)26/h4,6-11,17-18H,3,5,22H2,1-2H3,(H,23,24)
InChIKeyNUJCVWQPWCATAO-UHFFFAOYSA-N
XLogP2.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 133325794
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
CID 119331161
4-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]pentanamide
CID 120563127
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
CID 119797041
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
CID 119318972

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide (CID 119338392) is 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide is CCCC(N)C(=O)NC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide?
The InChIKey is NUJCVWQPWCATAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-3-5-17(22)19(24)23-18(13-8-9-15(20)16(21)11-13)12-6-4-7-14(10-12)27(2,25)26/h4,6-11,17-18H,3,5,22H2,1-2H3,(H,23,24).
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide?
2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide has a molecular weight of 396.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]pentanamide is sourced from PubChem (CID 119338392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).