N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide

C23H24N2O3S — CID 75396185

IUPACN-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16(18-10-12-22(13-11-18)24-23(26)20-8-9-20)25-29(27,28)15-17-6-7-19-4-2-3-5-21(19)14-17/h2-7,10-14,16,20,25H,8-9,15H2,1H3,(H,24,26)
InChIKeyLNRVHBFIRCZLKF-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 75396185) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID75396185
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16(18-10-12-22(13-11-18)24-23(26)20-8-9-20)25-29(27,28)15-17-6-7-19-4-2-3-5-21(19)14-17/h2-7,10-14,16,20,25H,8-9,15H2,1H3,(H,24,26)
InChIKeyLNRVHBFIRCZLKF-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
N-[4-[1-[(6-methoxynaphthalen-2-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025390
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598275
(2R)-N-hydroxy-2-(naphthalen-2-ylmethylsulfonylamino)propanamide
CID 163972165
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55691640
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 75396185) is N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide is CC(NS(=O)(=O)Cc1ccc2ccccc2c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is LNRVHBFIRCZLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16(18-10-12-22(13-11-18)24-23(26)20-8-9-20)25-29(27,28)15-17-6-7-19-4-2-3-5-21(19)14-17/h2-7,10-14,16,20,25H,8-9,15H2,1H3,(H,24,26).
What are the key properties of N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 75396185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).