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

C20H22ClN3O6S3 — CID 10143256

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C20H22ClN3O6S3/c1-10(2)32(26,27)15-9-11(3)8-12(4)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(5)23-30-20/h6-10,24H,1-5H3,(H,22,25)
InChIKeyUVUWLXDVDIDTJA-UHFFFAOYSA-N
MW532.07 g/mol
LogP4.55
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10143256) has the molecular formula C20H22ClN3O6S3 and a molecular weight of 532.07 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10143256
Molecular FormulaC20H22ClN3O6S3
Molecular Weight532.07 g/mol
Exact Mass531.04
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C20H22ClN3O6S3/c1-10(2)32(26,27)15-9-11(3)8-12(4)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(5)23-30-20/h6-10,24H,1-5H3,(H,22,25)
InChIKeyUVUWLXDVDIDTJA-UHFFFAOYSA-N
XLogP4.55
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.07
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide (CID 10143256) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(S(=O)(=O)C(C)C)c1.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is UVUWLXDVDIDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S3/c1-10(2)32(26,27)15-9-11(3)8-12(4)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(5)23-30-20/h6-10,24H,1-5H3,(H,22,25).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 532.07 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10143256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).