3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide

C21H22N2O4S2 — CID 26558435

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2cccs2)ccc1C
InChIInChI=1S/C21H22N2O4S2/c1-15-10-11-16(21(24)23(2)14-17-7-6-12-28-17)13-20(15)29(25,26)22-18-8-4-5-9-19(18)27-3/h4-13,22H,14H2,1-3H3
InChIKeyCYFZIIIGRSNHDU-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.14
Rot. Bonds7

About 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 26558435) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID26558435
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2cccs2)ccc1C
InChIInChI=1S/C21H22N2O4S2/c1-15-10-11-16(21(24)23(2)14-17-7-6-12-28-17)13-20(15)29(25,26)22-18-8-4-5-9-19(18)27-3/h4-13,22H,14H2,1-3H3
InChIKeyCYFZIIIGRSNHDU-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17453736
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 96517593
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide (CID 26558435) is 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2cccs2)ccc1C.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CYFZIIIGRSNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-15-10-11-16(21(24)23(2)14-17-7-6-12-28-17)13-20(15)29(25,26)22-18-8-4-5-9-19(18)27-3/h4-13,22H,14H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 26558435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).