3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide

C19H30N2O4S — CID 5031253

IUPAC3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-25-15-5-14-20-26(23,24)18-11-9-17(10-12-18)21-19(22)13-8-16-6-3-2-4-7-16/h9-12,16,20H,2-8,13-15H2,1H3,(H,21,22)
InChIKeyBIMYRNODEFWGBM-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.30
Rot. Bonds10

About 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide

3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide (PubChem CID 5031253) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
PubChem CID5031253
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-25-15-5-14-20-26(23,24)18-11-9-17(10-12-18)21-19(22)13-8-16-6-3-2-4-7-16/h9-12,16,20H,2-8,13-15H2,1H3,(H,21,22)
InChIKeyBIMYRNODEFWGBM-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
4-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3-methoxypropyl)benzamide
CID 17205331
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 3715174
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 3160786
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide (CID 5031253) is 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide is COCCCNS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide?
The InChIKey is BIMYRNODEFWGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-25-15-5-14-20-26(23,24)18-11-9-17(10-12-18)21-19(22)13-8-16-6-3-2-4-7-16/h9-12,16,20H,2-8,13-15H2,1H3,(H,21,22).
What are the key properties of 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide?
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide has a molecular weight of 382.53 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 5031253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).