2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide

C17H21N3O2S — CID 71810195

IUPAC2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H21N3O2S/c21-17(13-23-12-14-4-2-1-3-5-14)19-15-10-18-20(11-15)16-6-8-22-9-7-16/h1-5,10-11,16H,6-9,12-13H2,(H,19,21)
InChIKeyPYMSUOPSSWJMAZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.11
Rot. Bonds6

About 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide

2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (PubChem CID 71810195) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
PubChem CID71810195
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C17H21N3O2S/c21-17(13-23-12-14-4-2-1-3-5-14)19-15-10-18-20(11-15)16-6-8-22-9-7-16/h1-5,10-11,16H,6-9,12-13H2,(H,19,21)
InChIKeyPYMSUOPSSWJMAZ-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]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-((4-fluorophenyl)thio)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 90622209
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
3-(phenylthio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)propanamide
CID 71810229
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(m-tolyl)methanesulfonamide
CID 71810307
2-(4-(isopropylthio)phenyl)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 90622225
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}[p-(isopropylthio)phenyl]acetamide
CID 97428116
N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3510390
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35277614
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521336
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
2-((4-fluorophenyl)thio)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)acetamide
CID 71810117

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (CID 71810195) is 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide is O=C(CSCc1ccccc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is PYMSUOPSSWJMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-17(13-23-12-14-4-2-1-3-5-14)19-15-10-18-20(11-15)16-6-8-22-9-7-16/h1-5,10-11,16H,6-9,12-13H2,(H,19,21).
What are the key properties of 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71810195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).