4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C18H18N4O3S2 — CID 1309961

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)19-17(23)13-9-11-14(12-10-13)22(2)27(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,21,23)
InChIKeyMPDJPMXCUKNYCN-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.18
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1309961) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1309961
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1
InChIInChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)19-17(23)13-9-11-14(12-10-13)22(2)27(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,21,23)
InChIKeyMPDJPMXCUKNYCN-UHFFFAOYSA-N
XLogP3.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2210290
TG6-129
CID 1987175
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropanoylamino)benzamide
CID 1091333
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(dimethylamino)benzamide
CID 2116125
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 1822015
4-Cyclohexylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 646755
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(isobutyrylamino)benzamide
CID 1291325
4-cyano-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 1554444
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1587870
4-bromo-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1851787

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 1309961) is 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MPDJPMXCUKNYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)19-17(23)13-9-11-14(12-10-13)22(2)27(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,21,23).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1309961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).