N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide

C17H24N4OS — CID 7818217

IUPACN,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILESCCN(CC)C(=O)CCCSc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4OS/c1-4-21(5-2)15(22)7-6-12-23-17-18-16(19-20-17)14-10-8-13(3)9-11-14/h8-11H,4-7,12H2,1-3H3,(H,18,19,20)
InChIKeySGTMSNZGGXMJMV-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.52
Rot. Bonds8

About N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide

N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide (PubChem CID 7818217) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide
PubChem CID7818217
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILESCCN(CC)C(=O)CCCSc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4OS/c1-4-21(5-2)15(22)7-6-12-23-17-18-16(19-20-17)14-10-8-13(3)9-11-14/h8-11H,4-7,12H2,1-3H3,(H,18,19,20)
InChIKeySGTMSNZGGXMJMV-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide 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

5-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentan-2-one
CID 47152499
4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 7538378
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7557040
5-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole
CID 8951172
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8582050
N-(2,6-dimethylphenyl)-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 8003988
N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide
CID 156510841
N-[(2R)-6-methylheptan-2-yl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8582159
N-(2-ethoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7818642
4-(2-amino-5-methylphenyl)sulfanyl-N,N-diethylbutanamide
CID 79142397
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 7818883
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8582045

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The IUPAC name of N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide (CID 7818217) is N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide.
What is the SMILES notation for N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The canonical SMILES for N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide is CCN(CC)C(=O)CCCSc1n[nH]c(-c2ccc(C)cc2)n1.
What is the InChIKey of N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide?
The InChIKey is SGTMSNZGGXMJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-21(5-2)15(22)7-6-12-23-17-18-16(19-20-17)14-10-8-13(3)9-11-14/h8-11H,4-7,12H2,1-3H3,(H,18,19,20).
What are the key properties of N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide?
N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide has a molecular weight of 332.47 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide is sourced from PubChem (CID 7818217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).