1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide

C26H27ClN2O3S — CID 20971650

IUPAC1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)cc1Cl
InChIInChI=1S/C26H27ClN2O3S/c1-19-9-14-23(18-24(19)27)33(31,32)29-22-12-10-21(11-13-22)26(15-16-26)25(30)28-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,18,29H,5,8,15-17H2,1H3,(H,28,30)
InChIKeyOEUAOZFIAYXOLA-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.23
Rot. Bonds9

About 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide

1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 20971650) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID20971650
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)cc1Cl
InChIInChI=1S/C26H27ClN2O3S/c1-19-9-14-23(18-24(19)27)33(31,32)29-22-12-10-21(11-13-22)26(15-16-26)25(30)28-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,18,29H,5,8,15-17H2,1H3,(H,28,30)
InChIKeyOEUAOZFIAYXOLA-UHFFFAOYSA-N
XLogP5.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822330
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-butyl-1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822427
1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062286
N-benzyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061887
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 50822322
2-chloro-N-[4-[1-(3-phenylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821422
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062380
N-butyl-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062340
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378339

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 20971650) is 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)cc1Cl.
What is the InChIKey of 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is OEUAOZFIAYXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c1-19-9-14-23(18-24(19)27)33(31,32)29-22-12-10-21(11-13-22)26(15-16-26)25(30)28-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,18,29H,5,8,15-17H2,1H3,(H,28,30).
What are the key properties of 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide?
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 483.03 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 20971650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).