2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C20H21Cl2N3O4S — CID 1317655

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H21Cl2N3O4S/c1-30(28,29)25(17-10-6-8-15(21)19(17)22)13-18(26)23-16-9-3-2-7-14(16)20(27)24-11-4-5-12-24/h2-3,6-10H,4-5,11-13H2,1H3,(H,23,26)
InChIKeyNVCJFMAWHPDNGM-UHFFFAOYSA-N
MW470.38 g/mol
LogP3.63
Rot. Bonds6

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 1317655) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID1317655
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H21Cl2N3O4S/c1-30(28,29)25(17-10-6-8-15(21)19(17)22)13-18(26)23-16-9-3-2-7-14(16)20(27)24-11-4-5-12-24/h2-3,6-10H,4-5,11-13H2,1H3,(H,23,26)
InChIKeyNVCJFMAWHPDNGM-UHFFFAOYSA-N
XLogP3.63
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126318860
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
N-butyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 21372765
methyl 3-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21371889
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076398
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 19061705
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 2228984
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 3542278
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 1317655) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is NVCJFMAWHPDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c1-30(28,29)25(17-10-6-8-15(21)19(17)22)13-18(26)23-16-9-3-2-7-14(16)20(27)24-11-4-5-12-24/h2-3,6-10H,4-5,11-13H2,1H3,(H,23,26).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 470.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1317655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).