N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

C18H17ClN4O5S2 — CID 11465535

IUPACN-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(N)=O)c1
InChIInChI=1S/C18H17ClN4O5S2/c1-8-6-9(2)14(11(7-8)16(20)24)21-17(25)15-12(4-5-29-15)30(26,27)23-18-13(19)10(3)22-28-18/h4-7,23H,1-3H3,(H2,20,24)(H,21,25)
InChIKeyTVEFLKDPDJKZTG-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.47
Rot. Bonds6

About N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 11465535) has the molecular formula C18H17ClN4O5S2 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID11465535
Molecular FormulaC18H17ClN4O5S2
Molecular Weight468.94 g/mol
Exact Mass468.03
IUPAC NameN-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(N)=O)c1
InChIInChI=1S/C18H17ClN4O5S2/c1-8-6-9(2)14(11(7-8)16(20)24)21-17(25)15-12(4-5-29-15)30(26,27)23-18-13(19)10(3)22-28-18/h4-7,23H,1-3H3,(H2,20,24)(H,21,25)
InChIKeyTVEFLKDPDJKZTG-UHFFFAOYSA-N
XLogP3.47
TPSA144.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 11465535) is N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(N)=O)c1.
What is the InChIKey of N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is TVEFLKDPDJKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O5S2/c1-8-6-9(2)14(11(7-8)16(20)24)21-17(25)15-12(4-5-29-15)30(26,27)23-18-13(19)10(3)22-28-18/h4-7,23H,1-3H3,(H2,20,24)(H,21,25).
What are the key properties of N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 11465535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).