N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C20H26N2O3S2 — CID 4290749

IUPACN-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-14-5-10-18(12-15(14)2)22-20(23)17-8-6-16(7-9-17)13-21-27(24,25)19-4-3-11-26-19/h3-5,10-12,16-17,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyRIWKLONCMYHZHG-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.09
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 4290749) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID4290749
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C20H26N2O3S2/c1-14-5-10-18(12-15(14)2)22-20(23)17-8-6-16(7-9-17)13-21-27(24,25)19-4-3-11-26-19/h3-5,10-12,16-17,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyRIWKLONCMYHZHG-UHFFFAOYSA-N
XLogP4.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 4290749) is N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is RIWKLONCMYHZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-14-5-10-18(12-15(14)2)22-20(23)17-8-6-16(7-9-17)13-21-27(24,25)19-4-3-11-26-19/h3-5,10-12,16-17,21H,6-9,13H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4290749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).