4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide

C24H34ClN3O4S — CID 25496834

IUPAC4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1cccc(OC)c1
InChIInChI=1S/C24H34ClN3O4S/c1-6-27(7-2)22(18-11-10-12-20(15-18)32-5)17-26-24(29)19-13-14-21(25)23(16-19)33(30,31)28(8-3)9-4/h10-16,22H,6-9,17H2,1-5H3,(H,26,29)/t22-/m1/s1
InChIKeyPFOXPDWAXRSSBA-JOCHJYFZSA-N
MW496.07 g/mol
LogP4.19
Rot. Bonds12

About 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide

4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 25496834) has the molecular formula C24H34ClN3O4S and a molecular weight of 496.07 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
PubChem CID25496834
Molecular FormulaC24H34ClN3O4S
Molecular Weight496.07 g/mol
Exact Mass495.20
IUPAC Name4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1cccc(OC)c1
InChIInChI=1S/C24H34ClN3O4S/c1-6-27(7-2)22(18-11-10-12-20(15-18)32-5)17-26-24(29)19-13-14-21(25)23(16-19)33(30,31)28(8-3)9-4/h10-16,22H,6-9,17H2,1-5H3,(H,26,29)/t22-/m1/s1
InChIKeyPFOXPDWAXRSSBA-JOCHJYFZSA-N
XLogP4.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.07
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527244
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30546325
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55337196
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide (CID 25496834) is 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)c1cccc(OC)c1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is PFOXPDWAXRSSBA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34ClN3O4S/c1-6-27(7-2)22(18-11-10-12-20(15-18)32-5)17-26-24(29)19-13-14-21(25)23(16-19)33(30,31)28(8-3)9-4/h10-16,22H,6-9,17H2,1-5H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide?
4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 496.07 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 25496834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).