N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C19H24N2O3S2 — CID 5322919

IUPACN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22)
InChIKeyMOCVUYYSCXJCHB-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.15
Rot. Bonds7

About N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5322919) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5322919
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22)
InChIKeyMOCVUYYSCXJCHB-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5322919) is N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is MOCVUYYSCXJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22).
What are the key properties of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5322919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).