4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide

C22H34N2O5S — CID 18228839

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C22H34N2O5S/c1-18(25)19-11-13-21(14-12-19)30(27,28)24(2)16-6-10-22(26)23-15-7-17-29-20-8-4-3-5-9-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,23,26)
InChIKeyDMZFKPZYIROCTP-UHFFFAOYSA-N
MW438.59 g/mol
LogP3.15
Rot. Bonds12

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide (PubChem CID 18228839) has the molecular formula C22H34N2O5S and a molecular weight of 438.59 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
PubChem CID18228839
Molecular FormulaC22H34N2O5S
Molecular Weight438.59 g/mol
Exact Mass438.22
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C22H34N2O5S/c1-18(25)19-11-13-21(14-12-19)30(27,28)24(2)16-6-10-22(26)23-15-7-17-29-20-8-4-3-5-9-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,23,26)
InChIKeyDMZFKPZYIROCTP-UHFFFAOYSA-N
XLogP3.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
N-(3-cyclopentyloxypropyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100710859
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 30227480
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
4-[[2-(3-cyclopentyloxypropylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 75445977
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 31852144

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide (CID 18228839) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCCOC2CCCCC2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide?
The InChIKey is DMZFKPZYIROCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5S/c1-18(25)19-11-13-21(14-12-19)30(27,28)24(2)16-6-10-22(26)23-15-7-17-29-20-8-4-3-5-9-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,23,26).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide has a molecular weight of 438.59 g/mol, XLogP of 3.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide is sourced from PubChem (CID 18228839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).