N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide

C13H18N2OS — CID 115158779

IUPACN-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide
SMILESCCSc1ccc(N(C)C(=O)C2CNC2)cc1
InChIInChI=1S/C13H18N2OS/c1-3-17-12-6-4-11(5-7-12)15(2)13(16)10-8-14-9-10/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyNFTBEXZIZAMSTP-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.98
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide

N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide (PubChem CID 115158779) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide
PubChem CID115158779
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide
SMILESCCSc1ccc(N(C)C(=O)C2CNC2)cc1
InChIInChI=1S/C13H18N2OS/c1-3-17-12-6-4-11(5-7-12)15(2)13(16)10-8-14-9-10/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyNFTBEXZIZAMSTP-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide 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-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165672
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
2-cyano-N-(4-ethylsulfanylphenyl)-N-methylbutanamide
CID 115188241
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
2-(4-ethylsulfanyl-N-methylanilino)propanoic acid
CID 117041875
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide (CID 115158779) is N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide is CCSc1ccc(N(C)C(=O)C2CNC2)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide?
The InChIKey is NFTBEXZIZAMSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-17-12-6-4-11(5-7-12)15(2)13(16)10-8-14-9-10/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide?
N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115158779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).