N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide

C21H26N2O2S — CID 18903036

IUPACN-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O2S/c1-4-5-12-20(24)22-17-9-7-10-18(13-17)26-14-21(25)23-19-11-6-8-15(2)16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTPRRAXBUDFZTH-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.16
Rot. Bonds8

About N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide

N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide (PubChem CID 18903036) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
PubChem CID18903036
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H26N2O2S/c1-4-5-12-20(24)22-17-9-7-10-18(13-17)26-14-21(25)23-19-11-6-8-15(2)16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUTPRRAXBUDFZTH-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]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

N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
(E)-4-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896784
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
4-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786329
8-[[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897360
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 19299517
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
4-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897066
3-[[2-[3-(3-carboxypropanoylamino)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid
CID 18897120

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide (CID 18903036) is N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cccc(SCC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
The InChIKey is UTPRRAXBUDFZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-5-12-20(24)22-17-9-7-10-18(13-17)26-14-21(25)23-19-11-6-8-15(2)16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide?
N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide has a molecular weight of 370.52 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 18903036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).