4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

C24H25ClN2O5S — CID 94013133

IUPAC4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-15-6-5-7-19(12-15)27-33(29,30)23-14-18(8-10-20(23)25)24(28)26-16(2)17-9-11-21(31-3)22(13-17)32-4/h5-14,16,27H,1-4H3,(H,26,28)/t16-/m0/s1
InChIKeyFGKNKPDJDSPPAP-INIZCTEOSA-N
MW488.99 g/mol
LogP4.96
Rot. Bonds8

About 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide

4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 94013133) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID94013133
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-15-6-5-7-19(12-15)27-33(29,30)23-14-18(8-10-20(23)25)24(28)26-16(2)17-9-11-21(31-3)22(13-17)32-4/h5-14,16,27H,1-4H3,(H,26,28)/t16-/m0/s1
InChIKeyFGKNKPDJDSPPAP-INIZCTEOSA-N
XLogP4.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013134
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132617871
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 133165148
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709404
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 94013133) is 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FGKNKPDJDSPPAP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-15-6-5-7-19(12-15)27-33(29,30)23-14-18(8-10-20(23)25)24(28)26-16(2)17-9-11-21(31-3)22(13-17)32-4/h5-14,16,27H,1-4H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 94013133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).