4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C18H22N2O4S2 — CID 6503608

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H22N2O4S2/c1-20(12-14-6-3-2-4-7-14)26(22,23)16-10-17(25-13-16)18(21)19-11-15-8-5-9-24-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyVTVCQILMFQMRMY-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.48
Rot. Bonds7

About 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 6503608) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID6503608
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H22N2O4S2/c1-20(12-14-6-3-2-4-7-14)26(22,23)16-10-17(25-13-16)18(21)19-11-15-8-5-9-24-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyVTVCQILMFQMRMY-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
N-(2-methylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6504124
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7389968
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid
CID 69110316
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 6503608) is 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1csc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VTVCQILMFQMRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-20(12-14-6-3-2-4-7-14)26(22,23)16-10-17(25-13-16)18(21)19-11-15-8-5-9-24-15/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).