N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide

C17H24N2O5S — CID 139613409

IUPACN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)Nc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O5S/c1-3-15(20)17(21)18-12-9-10-16(14(11-12)19-25(2,22)23)24-13-7-5-4-6-8-13/h9-11,13,19H,3-8H2,1-2H3,(H,18,21)
InChIKeyGNMBRYIWLLZIGS-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.69
Rot. Bonds7

About N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide

N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide (PubChem CID 139613409) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide.

Molecular Properties

Compound NameN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide
PubChem CID139613409
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide
SMILESCCC(=O)C(=O)Nc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O5S/c1-3-15(20)17(21)18-12-9-10-16(14(11-12)19-25(2,22)23)24-13-7-5-4-6-8-13/h9-11,13,19H,3-8H2,1-2H3,(H,18,21)
InChIKeyGNMBRYIWLLZIGS-UHFFFAOYSA-N
XLogP2.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
CID 22406117
N-[4-cyclohexyloxy-5-(methanesulfonamido)-2-nitrophenyl]butanamide
CID 15233441
N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
CID 139341514
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630560
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545
N-(3-cyclopropyloxy-4-ethylphenyl)acetamide
CID 59026368
methyl 3-acetamido-4-cyclohexyloxy-5-(methanesulfonamido)benzoate
CID 139617757
N-[3-fluoro-4-(methanesulfonamido)phenyl]cyclohexanecarboxamide
CID 90165072

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide?
The IUPAC name of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide (CID 139613409) is N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide.
What is the SMILES notation for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide?
The canonical SMILES for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide is CCC(=O)C(=O)Nc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide?
The InChIKey is GNMBRYIWLLZIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-3-15(20)17(21)18-12-9-10-16(14(11-12)19-25(2,22)23)24-13-7-5-4-6-8-13/h9-11,13,19H,3-8H2,1-2H3,(H,18,21).
What are the key properties of N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide?
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide has a molecular weight of 368.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-oxobutanamide is sourced from PubChem (CID 139613409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).