(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide

C21H28ClN3O3S — CID 55934835

IUPAC(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-4-25(5-2)20(18-13-9-10-14-19(18)22)15-23-21(26)16(3)24-29(27,28)17-11-7-6-8-12-17/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,23,26)/t16-,20?/m0/s1
InChIKeyMELOEKYVGPXBFV-DJZRFWRSSA-N
MW437.99 g/mol
LogP3.21
Rot. Bonds10

About (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide (PubChem CID 55934835) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
PubChem CID55934835
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H28ClN3O3S/c1-4-25(5-2)20(18-13-9-10-14-19(18)22)15-23-21(26)16(3)24-29(27,28)17-11-7-6-8-12-17/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,23,26)/t16-,20?/m0/s1
InChIKeyMELOEKYVGPXBFV-DJZRFWRSSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]propanamide
CID 55938993
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
N-[1-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 112763889
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide (CID 55934835) is (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide is CCN(CC)C(CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide?
The InChIKey is MELOEKYVGPXBFV-DJZRFWRSSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-4-25(5-2)20(18-13-9-10-14-19(18)22)15-23-21(26)16(3)24-29(27,28)17-11-7-6-8-12-17/h6-14,16,20,24H,4-5,15H2,1-3H3,(H,23,26)/t16-,20?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide has a molecular weight of 437.99 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 55934835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).