N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide

C15H19N5O2S — CID 3212958

IUPACN-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H19N5O2S/c1-3-4-8-20-15(17-18-19-20)23-10-14(22)16-13-7-5-6-12(9-13)11(2)21/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,22)
InChIKeyGJADJZXZSMLISD-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.41
Rot. Bonds8

About N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide

N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212958) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide
PubChem CID3212958
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H19N5O2S/c1-3-4-8-20-15(17-18-19-20)23-10-14(22)16-13-7-5-6-12(9-13)11(2)21/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,22)
InChIKeyGJADJZXZSMLISD-UHFFFAOYSA-N
XLogP2.41
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide 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-[[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 973679
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
2-[1-(3-Acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 644826
2-[1-(3-Acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 649899
N-(4-methylphenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzamide
CID 851613
N-(2-fluorophenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}benzamide
CID 977269
N-[(4-methylphenyl)methyl]-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2106059
N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2630325
2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4556880
N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 864669
4-(5-Cyclohexylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071313
N-(3-acetylphenyl)-2-({5-[(ethylthio)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 2233375

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide (CID 3212958) is N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide is CCCCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is GJADJZXZSMLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-4-8-20-15(17-18-19-20)23-10-14(22)16-13-7-5-6-12(9-13)11(2)21/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,22).
What are the key properties of N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1-butyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).