2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide

C20H26ClN3O5S2 — CID 2975660

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)19-13-9-17(10-14-19)22-20(25)15(3)24(30(4,26)27)18-11-7-16(21)8-12-18/h7-15H,5-6H2,1-4H3,(H,22,25)
InChIKeyYONSQEWUCBAFFS-UHFFFAOYSA-N
MW488.03 g/mol
LogP3.16
Rot. Bonds9

About 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide

2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 2975660) has the molecular formula C20H26ClN3O5S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID2975660
Molecular FormulaC20H26ClN3O5S2
Molecular Weight488.03 g/mol
Exact Mass487.10
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)19-13-9-17(10-14-19)22-20(25)15(3)24(30(4,26)27)18-11-7-16(21)8-12-18/h7-15H,5-6H2,1-4H3,(H,22,25)
InChIKeyYONSQEWUCBAFFS-UHFFFAOYSA-N
XLogP3.16
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94864743
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2227899
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2223843

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 2975660) is 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is YONSQEWUCBAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O5S2/c1-5-23(6-2)31(28,29)19-13-9-17(10-14-19)22-20(25)15(3)24(30(4,26)27)18-11-7-16(21)8-12-18/h7-15H,5-6H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 488.03 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2975660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).