4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide

C22H30ClN3O3S — CID 4876896

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(Cc2ccccc2)N(C)C)ccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-5-26(6-2)30(28,29)21-15-18(12-13-20(21)23)22(27)24-16-19(25(3)4)14-17-10-8-7-9-11-17/h7-13,15,19H,5-6,14,16H2,1-4H3,(H,24,27)
InChIKeyYPFWPFIZAORQKP-UHFFFAOYSA-N
MW452.02 g/mol
LogP3.27
Rot. Bonds10

About 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide (PubChem CID 4876896) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
PubChem CID4876896
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(Cc2ccccc2)N(C)C)ccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-5-26(6-2)30(28,29)21-15-18(12-13-20(21)23)22(27)24-16-19(25(3)4)14-17-10-8-7-9-11-17/h7-13,15,19H,5-6,14,16H2,1-4H3,(H,24,27)
InChIKeyYPFWPFIZAORQKP-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
1-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 26838157
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 25496834
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide (CID 4876896) is 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(Cc2ccccc2)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide?
The InChIKey is YPFWPFIZAORQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S/c1-5-26(6-2)30(28,29)21-15-18(12-13-20(21)23)22(27)24-16-19(25(3)4)14-17-10-8-7-9-11-17/h7-13,15,19H,5-6,14,16H2,1-4H3,(H,24,27).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide has a molecular weight of 452.02 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide is sourced from PubChem (CID 4876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).