N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide

C18H25N3O5S — CID 97257734

IUPACN'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C18H25N3O5S/c22-11-12-3-1-2-4-16(12)20-18(24)17(23)19-13-7-9-15(10-8-13)27(25,26)21-14-5-6-14/h7-10,12,14,16,21-22H,1-6,11H2,(H,19,23)(H,20,24)/t12-,16-/m1/s1
InChIKeyBRUVMNDBELXQMG-MLGOLLRUSA-N
MW395.48 g/mol
LogP0.73
Rot. Bonds6

About N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide

N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide (PubChem CID 97257734) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide.

Molecular Properties

Compound NameN'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
PubChem CID97257734
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C18H25N3O5S/c22-11-12-3-1-2-4-16(12)20-18(24)17(23)19-13-7-9-15(10-8-13)27(25,26)21-14-5-6-14/h7-10,12,14,16,21-22H,1-6,11H2,(H,19,23)(H,20,24)/t12-,16-/m1/s1
InChIKeyBRUVMNDBELXQMG-MLGOLLRUSA-N
XLogP0.73
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 111840921
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678

Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide?
The IUPAC name of N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide (CID 97257734) is N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide.
What is the SMILES notation for N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide?
The canonical SMILES for N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide is O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide?
The InChIKey is BRUVMNDBELXQMG-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H25N3O5S/c22-11-12-3-1-2-4-16(12)20-18(24)17(23)19-13-7-9-15(10-8-13)27(25,26)21-14-5-6-14/h7-10,12,14,16,21-22H,1-6,11H2,(H,19,23)(H,20,24)/t12-,16-/m1/s1.
What are the key properties of N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide?
N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide has a molecular weight of 395.48 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide is sourced from PubChem (CID 97257734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).