1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide

C25H34N2O3S — CID 50820388

IUPAC1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H34N2O3S/c1-18(2)14-17-26-23(28)25(15-16-25)20-6-10-21(11-7-20)27-31(29,30)22-12-8-19(9-13-22)24(3,4)5/h6-13,18,27H,14-17H2,1-5H3,(H,26,28)
InChIKeyFYFOEZROJGBZFN-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.98
Rot. Bonds8

About 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide (PubChem CID 50820388) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
PubChem CID50820388
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H34N2O3S/c1-18(2)14-17-26-23(28)25(15-16-25)20-6-10-21(11-7-20)27-31(29,30)22-12-8-19(9-13-22)24(3,4)5/h6-13,18,27H,14-17H2,1-5H3,(H,26,28)
InChIKeyFYFOEZROJGBZFN-UHFFFAOYSA-N
XLogP4.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822304
N-(3-methylbutyl)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061781
1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061782
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378339
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide (CID 50820388) is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide?
The InChIKey is FYFOEZROJGBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-18(2)14-17-26-23(28)25(15-16-25)20-6-10-21(11-7-20)27-31(29,30)22-12-8-19(9-13-22)24(3,4)5/h6-13,18,27H,14-17H2,1-5H3,(H,26,28).
What are the key properties of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide?
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).