N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C23H28N2O3S — CID 50820428

IUPACN-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1
InChIInChI=1S/C23H28N2O3S/c1-16-7-8-17(2)21(15-16)29(27,28)25-20-11-9-18(10-12-20)23(13-14-23)22(26)24-19-5-3-4-6-19/h7-12,15,19,25H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyLFPNPJKQYNPRJI-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.19
Rot. Bonds6

About N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 50820428) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID50820428
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1
InChIInChI=1S/C23H28N2O3S/c1-16-7-8-17(2)21(15-16)29(27,28)25-20-11-9-18(10-12-20)23(13-14-23)22(26)24-19-5-3-4-6-19/h7-12,15,19,25H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyLFPNPJKQYNPRJI-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cycloheptyl-1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061943
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378252
N-(4-methylcyclohexyl)-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971641
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 50820428) is N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1.
What is the InChIKey of N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is LFPNPJKQYNPRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-16-7-8-17(2)21(15-16)29(27,28)25-20-11-9-18(10-12-20)23(13-14-23)22(26)24-19-5-3-4-6-19/h7-12,15,19,25H,3-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50820428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).