N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide

C18H22N2O3S2 — CID 2823724

IUPACN-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-18(14-7-3-1-4-8-14)19-13-16-11-12-17(24-16)25(22,23)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,20H,2,5-6,9-10,13H2,(H,19,21)
InChIKeyYYVDJLRXWKLDGX-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide

N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide (PubChem CID 2823724) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
PubChem CID2823724
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CCCCC2)s1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c21-18(14-7-3-1-4-8-14)19-13-16-11-12-17(24-16)25(22,23)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,20H,2,5-6,9-10,13H2,(H,19,21)
InChIKeyYYVDJLRXWKLDGX-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide (CID 2823724) is N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)NC2CCCCC2)s1)c1ccccc1.
What is the InChIKey of N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is YYVDJLRXWKLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c21-18(14-7-3-1-4-8-14)19-13-16-11-12-17(24-16)25(22,23)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,20H,2,5-6,9-10,13H2,(H,19,21).
What are the key properties of N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide?
N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylsulfamoyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 2823724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).