2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H24ClN3O4S — CID 4789987

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14-10-18(19(28-2)12-17(14)21)22-13-20(25)23-15-6-5-7-16(11-15)29(26,27)24-8-3-4-9-24/h5-7,10-12,22H,3-4,8-9,13H2,1-2H3,(H,23,25)
InChIKeyNFLTZOAXZLWFAX-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4789987) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4789987
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14-10-18(19(28-2)12-17(14)21)22-13-20(25)23-15-6-5-7-16(11-15)29(26,27)24-8-3-4-9-24/h5-7,10-12,22H,3-4,8-9,13H2,1-2H3,(H,23,25)
InChIKeyNFLTZOAXZLWFAX-UHFFFAOYSA-N
XLogP3.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
tert-butyl N-(5-{[(2-chlorophenyl)methyl][1-(hydroxycarbamoyl)ethyl]sulfamoyl}-2-methoxyphenyl)carbamate
CID 23645809
N~1~-{2-[(3-chlorobenzyl)thio]ethyl}-N~2~-(2-methoxy-5-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2283477
N~1~-{2-[(2-chlorobenzyl)thio]ethyl}-N~2~-(2-methoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2287010
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2-methoxy-5-methylphenyl)acetamide
CID 3242974
2-(4-chloro-3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4800346
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4850448
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyphenyl)ethylamino]acetamide
CID 4877457
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(4-methoxyphenyl)propanamide
CID 4881679
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4964922
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 44369594
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16277493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4789987) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is NFLTZOAXZLWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-14-10-18(19(28-2)12-17(14)21)22-13-20(25)23-15-6-5-7-16(11-15)29(26,27)24-8-3-4-9-24/h5-7,10-12,22H,3-4,8-9,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4789987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).