N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C20H26N2O4S — CID 3239602

IUPACN-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-10-19(11-5-15)27(24,25)22-13-16-6-8-17(9-7-16)20(23)21-14-18-3-2-12-26-18/h2-5,10-12,16-17,22H,6-9,13-14H2,1H3,(H,21,23)
InChIKeyBDQCFHBVYPQZME-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.99
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 3239602) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID3239602
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-10-19(11-5-15)27(24,25)22-13-16-6-8-17(9-7-16)20(23)21-14-18-3-2-12-26-18/h2-5,10-12,16-17,22H,6-9,13-14H2,1H3,(H,21,23)
InChIKeyBDQCFHBVYPQZME-UHFFFAOYSA-N
XLogP2.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]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-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 3239602) is N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccco3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is BDQCFHBVYPQZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-4-10-19(11-5-15)27(24,25)22-13-16-6-8-17(9-7-16)20(23)21-14-18-3-2-12-26-18/h2-5,10-12,16-17,22H,6-9,13-14H2,1H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3239602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).