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

C20H26N2O3S2 — CID 5322909

IUPACN-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-15-7-11-18(12-8-15)22-20(23)17-9-5-16(6-10-17)14-21-27(24,25)19-4-3-13-26-19/h3-4,7-8,11-13,16-17,21H,2,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyWKQUCHVYUYXFCT-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.03
Rot. Bonds7

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

N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5322909) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5322909
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-15-7-11-18(12-8-15)22-20(23)17-9-5-16(6-10-17)14-21-27(24,25)19-4-3-13-26-19/h3-4,7-8,11-13,16-17,21H,2,5-6,9-10,14H2,1H3,(H,22,23)
InChIKeyWKQUCHVYUYXFCT-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
3-Cyclohexyl-N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}propanamide
CID 71661885
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-methyl-N-[4-(piperidin-1-ylcarbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5322909) is N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is CCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is WKQUCHVYUYXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-2-15-7-11-18(12-8-15)22-20(23)17-9-5-16(6-10-17)14-21-27(24,25)19-4-3-13-26-19/h3-4,7-8,11-13,16-17,21H,2,5-6,9-10,14H2,1H3,(H,22,23).
What are the key properties of N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5322909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).