N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C23H28N2O4S — CID 50822210

IUPACN-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-2-29-20-11-13-21(14-12-20)30(27,28)25-19-9-7-17(8-10-19)23(15-16-23)22(26)24-18-5-3-4-6-18/h7-14,18,25H,2-6,15-16H2,1H3,(H,24,26)
InChIKeyGFWMPHWXPKREIJ-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.98
Rot. Bonds8

About N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 50822210) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID50822210
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-2-29-20-11-13-21(14-12-20)30(27,28)25-19-9-7-17(8-10-19)23(15-16-23)22(26)24-18-5-3-4-6-18/h7-14,18,25H,2-6,15-16H2,1H3,(H,24,26)
InChIKeyGFWMPHWXPKREIJ-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 50822210) is N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1.
What is the InChIKey of N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GFWMPHWXPKREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-2-29-20-11-13-21(14-12-20)30(27,28)25-19-9-7-17(8-10-19)23(15-16-23)22(26)24-18-5-3-4-6-18/h7-14,18,25H,2-6,15-16H2,1H3,(H,24,26).
What are the key properties of N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).