N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

C24H25ClN2O3S — CID 4543169

IUPACN-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-18(20-7-3-2-4-8-20)27-31(29,30)22-14-11-19(12-15-22)13-16-24(28)26-17-21-9-5-6-10-23(21)25/h2-12,14-15,18,27H,13,16-17H2,1H3,(H,26,28)
InChIKeyGZZYOSSOJBCLBP-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.63
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 4543169) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID4543169
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-18(20-7-3-2-4-8-20)27-31(29,30)22-14-11-19(12-15-22)13-16-24(28)26-17-21-9-5-6-10-23(21)25/h2-12,14-15,18,27H,13,16-17H2,1H3,(H,26,28)
InChIKeyGZZYOSSOJBCLBP-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
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N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239074
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 4543169) is N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is CC(NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is GZZYOSSOJBCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18(20-7-3-2-4-8-20)27-31(29,30)22-14-11-19(12-15-22)13-16-24(28)26-17-21-9-5-6-10-23(21)25/h2-12,14-15,18,27H,13,16-17H2,1H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4543169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).