3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C20H21N3O4S2 — CID 55414711

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21N3O4S2/c1-13-21-17(12-28-13)14-5-8-16(9-6-14)22-20(24)15-7-10-18(27-4)19(11-15)29(25,26)23(2)3/h5-12H,1-4H3,(H,22,24)
InChIKeyJIVUDXYPTSKARN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.63
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 55414711) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID55414711
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21N3O4S2/c1-13-21-17(12-28-13)14-5-8-16(9-6-14)22-20(24)15-7-10-18(27-4)19(11-15)29(25,26)23(2)3/h5-12H,1-4H3,(H,22,24)
InChIKeyJIVUDXYPTSKARN-UHFFFAOYSA-N
XLogP3.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 55414711) is 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is JIVUDXYPTSKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-21-17(12-28-13)14-5-8-16(9-6-14)22-20(24)15-7-10-18(27-4)19(11-15)29(25,26)23(2)3/h5-12H,1-4H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 55414711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).