4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C18H17N3O4S2 — CID 4801245

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-21(15-5-3-4-6-16(15)25-2)27(23,24)14-9-7-13(8-10-14)17(22)20-18-19-11-12-26-18/h3-12H,1-2H3,(H,19,20,22)
InChIKeyAKGWDQYIRXDMJZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.23
Rot. Bonds6

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4801245) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4801245
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-21(15-5-3-4-6-16(15)25-2)27(23,24)14-9-7-13(8-10-14)17(22)20-18-19-11-12-26-18/h3-12H,1-2H3,(H,19,20,22)
InChIKeyAKGWDQYIRXDMJZ-UHFFFAOYSA-N
XLogP3.23
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}benzamide
CID 1133320
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
CID 16122819
4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87488556
2,6-dimethoxy-N-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl}benzamide
CID 1983764
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2116584
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679337
2-[(phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2936872
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-p-tolyloxy-butyramide
CID 3163983
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 7998856
4-(4-methoxybenzenesulfonamido)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 16759187
3-[2-(2-Methoxy-phenyl)-acetylamino]-N-thiazol-2-yl-benzamide
CID 1967581
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2120898

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 4801245) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is AKGWDQYIRXDMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-21(15-5-3-4-6-16(15)25-2)27(23,24)14-9-7-13(8-10-14)17(22)20-18-19-11-12-26-18/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).