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

C18H18N4O3S2 — CID 4247716

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)s1
InChIInChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)22-27(24,25)14-10-8-13(9-11-14)19-17(23)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQRMCJMCOZGQYNP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.46
Rot. Bonds6

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

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide (PubChem CID 4247716) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide
PubChem CID4247716
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)s1
InChIInChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)22-27(24,25)14-10-8-13(9-11-14)19-17(23)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyQRMCJMCOZGQYNP-UHFFFAOYSA-N
XLogP3.46
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide (CID 4247716) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide?
The InChIKey is QRMCJMCOZGQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-3-16-20-21-18(26-16)22-27(24,25)14-10-8-13(9-11-14)19-17(23)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2-methylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.46, 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]-2-methylbenzamide is sourced from PubChem (CID 4247716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).