2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

C20H23Cl2N3O4S — CID 41153673

IUPAC2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c1-4-25(5-2)30(28,29)18-12-14(10-11-17(18)22)24-19(26)13(3)23-20(27)15-8-6-7-9-16(15)21/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1
InChIKeySQTIMGBPXAVBNT-CYBMUJFWSA-N
MW472.39 g/mol
LogP3.78
Rot. Bonds8

About 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 41153673) has the molecular formula C20H23Cl2N3O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID41153673
Molecular FormulaC20H23Cl2N3O4S
Molecular Weight472.39 g/mol
Exact Mass471.08
IUPAC Name2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c1-4-25(5-2)30(28,29)18-12-14(10-11-17(18)22)24-19(26)13(3)23-20(27)15-8-6-7-9-16(15)21/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1
InChIKeySQTIMGBPXAVBNT-CYBMUJFWSA-N
XLogP3.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
2-chloro-N-[(2S)-1-[4-methyl-3-(methylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 9479366
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
2-chloro-N-[1-oxo-1-(4-propylanilino)propan-2-yl]benzamide
CID 42907437
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide (CID 41153673) is 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is SQTIMGBPXAVBNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4S/c1-4-25(5-2)30(28,29)18-12-14(10-11-17(18)22)24-19(26)13(3)23-20(27)15-8-6-7-9-16(15)21/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,26)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 472.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 41153673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).