N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C22H22N2O3S2 — CID 38253124

IUPACN-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H22N2O3S2/c25-22(24(19-11-12-19)16-17-6-2-1-3-7-17)18-8-4-10-21(14-18)29(26,27)23-15-20-9-5-13-28-20/h1-10,13-14,19,23H,11-12,15-16H2
InChIKeyVARPRAGFQJDJND-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.03
Rot. Bonds8

About N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 38253124) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID38253124
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC NameN-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H22N2O3S2/c25-22(24(19-11-12-19)16-17-6-2-1-3-7-17)18-8-4-10-21(14-18)29(26,27)23-15-20-9-5-13-28-20/h1-10,13-14,19,23H,11-12,15-16H2
InChIKeyVARPRAGFQJDJND-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805
N-methyl-N-(3-phenoxypropyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38579697
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
1-[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354635
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 39153809
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 38253124) is N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is VARPRAGFQJDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c25-22(24(19-11-12-19)16-17-6-2-1-3-7-17)18-8-4-10-21(14-18)29(26,27)23-15-20-9-5-13-28-20/h1-10,13-14,19,23H,11-12,15-16H2.
What are the key properties of N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 38253124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).