3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide

C16H21N3O3S2 — CID 2230030

IUPAC3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-2-3-9-15-18-19-16(23-15)17-14(20)10-11-24(21,22)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,19,20)
InChIKeyKJDRACUQXYRYIQ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.82
Rot. Bonds9

About 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide

3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2230030) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2230030
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-2-3-9-15-18-19-16(23-15)17-14(20)10-11-24(21,22)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,19,20)
InChIKeyKJDRACUQXYRYIQ-UHFFFAOYSA-N
XLogP2.82
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide 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

3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
3-(benzenesulfonyl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17310154
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
N-[(1E,3Z)-1,4-diamino-8-[5-[[2-[3-(butylsulfonylmethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]octa-1,3-dienyl]-2-phenylacetamide
CID 74982818
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)propanamide
CID 2072795
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3961443

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide (CID 2230030) is 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1.
What is the InChIKey of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KJDRACUQXYRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-2-3-9-15-18-19-16(23-15)17-14(20)10-11-24(21,22)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,17,19,20).
What are the key properties of 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide?
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 367.50 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2230030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).