1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide

C23H30N2O3S — CID 50822304

IUPAC1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-5-16-24-21(26)23(14-15-23)18-6-10-19(11-7-18)25-29(27,28)20-12-8-17(9-13-20)22(2,3)4/h6-13,25H,5,14-16H2,1-4H3,(H,24,26)
InChIKeyCDWBBOVIPXFHSE-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.34
Rot. Bonds7

About 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 50822304) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
PubChem CID50822304
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-5-16-24-21(26)23(14-15-23)18-6-10-19(11-7-18)25-29(27,28)20-12-8-17(9-13-20)22(2,3)4/h6-13,25H,5,14-16H2,1-4H3,(H,24,26)
InChIKeyCDWBBOVIPXFHSE-UHFFFAOYSA-N
XLogP4.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062387
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-propyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062369
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
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-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide (CID 50822304) is 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide is CCCNC(=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-propylcyclopropane-1-carboxamide?
The InChIKey is CDWBBOVIPXFHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-5-16-24-21(26)23(14-15-23)18-6-10-19(11-7-18)25-29(27,28)20-12-8-17(9-13-20)22(2,3)4/h6-13,25H,5,14-16H2,1-4H3,(H,24,26).
What are the key properties of 1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.34, 7 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-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 50822304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).