N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide

C21H18N4O3S2 — CID 1187414

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)s1
InChIInChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)16-12-10-15(11-13-16)22-20(26)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyHJZPZKJJQGFFBQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.31
Rot. Bonds6

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide (PubChem CID 1187414) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
PubChem CID1187414
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)s1
InChIInChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)16-12-10-15(11-13-16)22-20(26)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyHJZPZKJJQGFFBQ-UHFFFAOYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
4-chloro-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 4014636
(2E)-N-(4-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl}phenyl)-3-(4-fluorophenyl)acrylamide
CID 6246323
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
N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide
CID 1946732
4-(dipropylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
CID 2839288
N-{4-[(5-Ethyl-1,3,4-thiadiazol-2-YL)sulfamoyl]phenyl}-3-nitrobenzamide
CID 4516564
3-chloro-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 5110222
3-bromo-N-(4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)benzamide
CID 5224388
CID 23723092
CID 23723092
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-{[3-(4-methylphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide
CID 5731269

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide (CID 1187414) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is HJZPZKJJQGFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)16-12-10-15(11-13-16)22-20(26)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1187414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).