N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide

C17H26N2OS — CID 106612084

IUPACN-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccccc1SC
InChIInChI=1S/C17H26N2OS/c1-3-4-12-19(13-14-8-7-11-18-14)17(20)15-9-5-6-10-16(15)21-2/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyFECOCFAOXGEQKY-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.40
Rot. Bonds7

About N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612084) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612084
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccccc1SC
InChIInChI=1S/C17H26N2OS/c1-3-4-12-19(13-14-8-7-11-18-14)17(20)15-9-5-6-10-16(15)21-2/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyFECOCFAOXGEQKY-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide 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-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612016
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
N-(2-bromoethyl)-N-butyl-2-methylsulfanylbenzamide
CID 80659580
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612084) is N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1ccccc1SC.
What is the InChIKey of N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is FECOCFAOXGEQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-4-12-19(13-14-8-7-11-18-14)17(20)15-9-5-6-10-16(15)21-2/h5-6,9-10,14,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 306.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).