4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

C17H22N2O4S2 — CID 18170668

IUPAC4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H22N2O4S2/c1-12(2)18-25(21,22)16-10-13(7-8-15(16)23-4)17(20)19(3)11-14-6-5-9-24-14/h5-10,12,18H,11H2,1-4H3
InChIKeyXUTHRUFCBGHFES-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.72
Rot. Bonds7

About 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 18170668) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID18170668
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H22N2O4S2/c1-12(2)18-25(21,22)16-10-13(7-8-15(16)23-4)17(20)19(3)11-14-6-5-9-24-14/h5-10,12,18H,11H2,1-4H3
InChIKeyXUTHRUFCBGHFES-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 26558435
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18136776
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
N-(furan-2-ylmethyl)-4-methoxy-N-phenyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18139227
3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389080
4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55408209

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (CID 18170668) is 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XUTHRUFCBGHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-12(2)18-25(21,22)16-10-13(7-8-15(16)23-4)17(20)19(3)11-14-6-5-9-24-14/h5-10,12,18H,11H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 18170668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).