N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C20H26N2O4S2 — CID 22430563

IUPACN-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O4S2/c1-14-5-10-18(26-2)17(12-14)22-20(23)16-8-6-15(7-9-16)13-21-28(24,25)19-4-3-11-27-19/h3-5,10-12,15-16,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyMAAWTMKDTABWFE-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.79
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 22430563) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID22430563
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O4S2/c1-14-5-10-18(26-2)17(12-14)22-20(23)16-8-6-15(7-9-16)13-21-28(24,25)19-4-3-11-27-19/h3-5,10-12,15-16,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyMAAWTMKDTABWFE-UHFFFAOYSA-N
XLogP3.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430555
N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 15989581
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148040

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 22430563) is N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is MAAWTMKDTABWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-14-5-10-18(26-2)17(12-14)22-20(23)16-8-6-15(7-9-16)13-21-28(24,25)19-4-3-11-27-19/h3-5,10-12,15-16,21H,6-9,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 22430563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).