N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

C22H28ClN3O3S — CID 25494570

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)c1
InChIInChI=1S/C22H28ClN3O3S/c1-4-14-25-30(28,29)18-11-9-10-17(15-18)22(27)24-16-21(26(5-2)6-3)19-12-7-8-13-20(19)23/h4,7-13,15,21,25H,1,5-6,14,16H2,2-3H3,(H,24,27)/t21-/m1/s1
InChIKeyQLQYDLLBGCFTHJ-OAQYLSRUSA-N
MW450.00 g/mol
LogP3.62
Rot. Bonds11

About N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 25494570) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID25494570
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)c1
InChIInChI=1S/C22H28ClN3O3S/c1-4-14-25-30(28,29)18-11-9-10-17(15-18)22(27)24-16-21(26(5-2)6-3)19-12-7-8-13-20(19)23/h4,7-13,15,21,25H,1,5-6,14,16H2,2-3H3,(H,24,27)/t21-/m1/s1
InChIKeyQLQYDLLBGCFTHJ-OAQYLSRUSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55347694
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
3-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828908
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 25494570) is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)c1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is QLQYDLLBGCFTHJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-4-14-25-30(28,29)18-11-9-10-17(15-18)22(27)24-16-21(26(5-2)6-3)19-12-7-8-13-20(19)23/h4,7-13,15,21,25H,1,5-6,14,16H2,2-3H3,(H,24,27)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 450.00 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 25494570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).