N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide

C15H19N3OS — CID 47182837

IUPACN-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESCCCCn1nccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-2-3-11-18-14(9-10-16-18)17-15(19)12-20-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,19)
InChIKeyRXKMOYILEPZNCO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.41
Rot. Bonds7

About N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide

N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 47182837) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID47182837
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESCCCCn1nccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H19N3OS/c1-2-3-11-18-14(9-10-16-18)17-15(19)12-20-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,19)
InChIKeyRXKMOYILEPZNCO-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide 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-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
N-(2-butylpyrazol-3-yl)-3-(2,3-dichlorophenyl)propanamide
CID 60557715
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 154833804
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-butylpyrazol-3-yl)acetamide
CID 55968028
1-[2,6-di(propan-2-yl)phenyl]-3-(2-undecylpyrazol-3-yl)urea
CID 19812020
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide (CID 47182837) is N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide is CCCCn1nccc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is RXKMOYILEPZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-3-11-18-14(9-10-16-18)17-15(19)12-20-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,19).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide?
N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 47182837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).