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

C19H24N2O3S2 — CID 5322919

IUPACN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22)
InChIKeyMOCVUYYSCXJCHB-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.15
Rot. Bonds7

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

N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 5322919) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID5322919
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22)
InChIKeyMOCVUYYSCXJCHB-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.15
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
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
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~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-(2-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
N-[2,2'']Bithiophenyl-5-ylmethyl-N''-(2''-sulfamoyl-biphenyl-4-ylmethyl)-succinamide
CID 10370036
4-[5-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]benzamide
CID 89665057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 5322919) is N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NCc1ccccc1)C1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is MOCVUYYSCXJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c22-19(20-13-15-5-2-1-3-6-15)17-10-8-16(9-11-17)14-21-26(23,24)18-7-4-12-25-18/h1-7,12,16-17,21H,8-11,13-14H2,(H,20,22).
What are the key properties of N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5322919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).