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

C20H24N2O4S2 — CID 15989581

IUPACN-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-14(23)16-8-10-18(11-9-16)22-20(24)17-6-4-15(5-7-17)13-21-28(25,26)19-3-2-12-27-19/h2-3,8-12,15,17,21H,4-7,13H2,1H3,(H,22,24)
InChIKeyOHQVLAQELJUSCJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.67
Rot. Bonds7

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

N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 15989581) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID15989581
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-14(23)16-8-10-18(11-9-16)22-20(24)17-6-4-15(5-7-17)13-21-28(25,26)19-3-2-12-27-19/h2-3,8-12,15,17,21H,4-7,13H2,1H3,(H,22,24)
InChIKeyOHQVLAQELJUSCJ-UHFFFAOYSA-N
XLogP3.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.67
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)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430563
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 22430654
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 15996744
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 15989581) is N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is OHQVLAQELJUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-14(23)16-8-10-18(11-9-16)22-20(24)17-6-4-15(5-7-17)13-21-28(25,26)19-3-2-12-27-19/h2-3,8-12,15,17,21H,4-7,13H2,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15989581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).