N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide

C24H24Cl2N2O4S — CID 133230936

IUPACN-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-16(17-4-7-20(25)8-5-17)27-24(29)18-6-13-23(32-3)19(14-18)15-28(2)33(30,31)22-11-9-21(26)10-12-22/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeySAQRWENVVLBTEX-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.31
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide

N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide (PubChem CID 133230936) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
PubChem CID133230936
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-16(17-4-7-20(25)8-5-17)27-24(29)18-6-13-23(32-3)19(14-18)15-28(2)33(30,31)22-11-9-21(26)10-12-22/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeySAQRWENVVLBTEX-UHFFFAOYSA-N
XLogP5.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(naphthalen-2-yloxymethyl)benzamide
CID 133178380
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide (CID 133230936) is N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(Cl)cc2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide?
The InChIKey is SAQRWENVVLBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-16(17-4-7-20(25)8-5-17)27-24(29)18-6-13-23(32-3)19(14-18)15-28(2)33(30,31)22-11-9-21(26)10-12-22/h4-14,16H,15H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide?
N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide has a molecular weight of 507.44 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide is sourced from PubChem (CID 133230936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).