2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

C18H17ClN4O3S2 — CID 100672451

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)Cc1ccccc1
InChIInChI=1S/C18H17ClN4O3S2/c1-28(25,26)23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(27-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24)
InChIKeyUNWXGBKXUKHOGN-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.26
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100672451) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100672451
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)Cc1ccccc1
InChIInChI=1S/C18H17ClN4O3S2/c1-28(25,26)23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(27-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24)
InChIKeyUNWXGBKXUKHOGN-UHFFFAOYSA-N
XLogP3.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-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-[N-(benzenesulfonyl)-2-methylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100693016
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100772734
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonylanilino)propanamide
CID 133178514
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133201572
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonylanilino)butanamide
CID 133229006
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
2-[methyl(methylsulfonyl)amino]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55606707
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100672451) is 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UNWXGBKXUKHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c1-28(25,26)23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(27-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 436.95 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100672451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).