4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide

C20H32N2O4S — CID 20629842

IUPAC4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCC(NS(=O)(=O)C(C)CC)CC2)c1
InChIInChI=1S/C20H32N2O4S/c1-4-15(3)27(24,25)22-18-11-9-17(10-12-18)20(23)21-14-16-7-6-8-19(13-16)26-5-2/h6-8,13,15,17-18,22H,4-5,9-12,14H2,1-3H3,(H,21,23)
InChIKeyHWHCSLFTVZQIEH-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.98
Rot. Bonds9

About 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide

4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 20629842) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID20629842
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCC(NS(=O)(=O)C(C)CC)CC2)c1
InChIInChI=1S/C20H32N2O4S/c1-4-15(3)27(24,25)22-18-11-9-17(10-12-18)20(23)21-14-16-7-6-8-19(13-16)26-5-2/h6-8,13,15,17-18,22H,4-5,9-12,14H2,1-3H3,(H,21,23)
InChIKeyHWHCSLFTVZQIEH-UHFFFAOYSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 126826252
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
N-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775678
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 20629842) is 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide is CCOc1cccc(CNC(=O)C2CCC(NS(=O)(=O)C(C)CC)CC2)c1.
What is the InChIKey of 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is HWHCSLFTVZQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-15(3)27(24,25)22-18-11-9-17(10-12-18)20(23)21-14-16-7-6-8-19(13-16)26-5-2/h6-8,13,15,17-18,22H,4-5,9-12,14H2,1-3H3,(H,21,23).
What are the key properties of 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide?
4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfonylamino)-N-[(3-ethoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20629842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).