2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide

C21H27N3O4S — CID 55565298

IUPAC2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-28-20-12-11-18(29(26,27)24-17-9-10-17)14-19(20)23-15-21(25)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,17,23-24H,5,8-10,13,15H2,1H3,(H,22,25)
InChIKeyFHADZQPLCFJWFA-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.30
Rot. Bonds11

About 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide

2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide (PubChem CID 55565298) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
PubChem CID55565298
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-28-20-12-11-18(29(26,27)24-17-9-10-17)14-19(20)23-15-21(25)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,17,23-24H,5,8-10,13,15H2,1H3,(H,22,25)
InChIKeyFHADZQPLCFJWFA-UHFFFAOYSA-N
XLogP2.30
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
CID 30390392
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide (CID 55565298) is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide?
The InChIKey is FHADZQPLCFJWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-28-20-12-11-18(29(26,27)24-17-9-10-17)14-19(20)23-15-21(25)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14,17,23-24H,5,8-10,13,15H2,1H3,(H,22,25).
What are the key properties of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide?
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.30, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 55565298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).