N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide

C17H26N2OS — CID 106612016

IUPACN-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCCN(CC1CCCN1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-2-3-12-19(13-15-8-7-11-18-15)17(20)14-21-16-9-5-4-6-10-16/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3
InChIKeyLOXHSAPWOZQRJD-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.16
Rot. Bonds8

About N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide

N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106612016) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106612016
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCCN(CC1CCCN1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H26N2OS/c1-2-3-12-19(13-15-8-7-11-18-15)17(20)14-21-16-9-5-4-6-10-16/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3
InChIKeyLOXHSAPWOZQRJD-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide 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-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625638
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 106612077

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106612016) is N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide is CCCCN(CC1CCCN1)C(=O)CSc1ccccc1.
What is the InChIKey of N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is LOXHSAPWOZQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-3-12-19(13-15-8-7-11-18-15)17(20)14-21-16-9-5-4-6-10-16/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3.
What are the key properties of N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide?
N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 306.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106612016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).