N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide

C24H32N2O3S — CID 50822340

IUPACN-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O3S/c1-4-5-16-25-23(27)24(14-15-24)20-8-10-21(11-9-20)26-30(28,29)22-12-6-19(7-13-22)17-18(2)3/h6-13,18,26H,4-5,14-17H2,1-3H3,(H,25,27)
InChIKeyRJMOAQKNAMWILU-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.63
Rot. Bonds10

About N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 50822340) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID50822340
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O3S/c1-4-5-16-25-23(27)24(14-15-24)20-8-10-21(11-9-20)26-30(28,29)22-12-6-19(7-13-22)17-18(2)3/h6-13,18,26H,4-5,14-17H2,1-3H3,(H,25,27)
InChIKeyRJMOAQKNAMWILU-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.63
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

N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378339
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062332
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822174
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062320
N-butyl-1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822427
N-butyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062335
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822304
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 50822340) is N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide is CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1.
What is the InChIKey of N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is RJMOAQKNAMWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-4-5-16-25-23(27)24(14-15-24)20-8-10-21(11-9-20)26-30(28,29)22-12-6-19(7-13-22)17-18(2)3/h6-13,18,26H,4-5,14-17H2,1-3H3,(H,25,27).
What are the key properties of N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50822340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).