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

C17H22N2O4S2 — CID 46582229

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccs2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H22N2O4S2/c1-12(2)19-25(21,22)16-11-13(6-7-15(16)23-3)17(20)18-9-8-14-5-4-10-24-14/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyAYTUJIWMIANUIC-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.42
Rot. Bonds8

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

4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 46582229) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID46582229
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccs2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C17H22N2O4S2/c1-12(2)19-25(21,22)16-11-13(6-7-15(16)23-3)17(20)18-9-8-14-5-4-10-24-14/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyAYTUJIWMIANUIC-UHFFFAOYSA-N
XLogP2.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide (CID 46582229) is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide is COc1ccc(C(=O)NCCc2cccs2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AYTUJIWMIANUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-12(2)19-25(21,22)16-11-13(6-7-15(16)23-3)17(20)18-9-8-14-5-4-10-24-14/h4-7,10-12,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 46582229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).