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

C20H26N2O3S2 — CID 15997729

IUPACN-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O3S2/c23-20(21-13-12-16-5-2-1-3-6-16)18-10-8-17(9-11-18)15-22-27(24,25)19-7-4-14-26-19/h1-7,14,17-18,22H,8-13,15H2,(H,21,23)
InChIKeyAUZFQPSFANHAPP-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.19
Rot. Bonds8

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

N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 15997729) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID15997729
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H26N2O3S2/c23-20(21-13-12-16-5-2-1-3-6-16)18-10-8-17(9-11-18)15-22-27(24,25)19-7-4-14-26-19/h1-7,14,17-18,22H,8-13,15H2,(H,21,23)
InChIKeyAUZFQPSFANHAPP-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
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
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-[2-(2-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9551080
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 15997729) is N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NCCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is AUZFQPSFANHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c23-20(21-13-12-16-5-2-1-3-6-16)18-10-8-17(9-11-18)15-22-27(24,25)19-7-4-14-26-19/h1-7,14,17-18,22H,8-13,15H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15997729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).