2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H27ClN4O5S — CID 4850448

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC
InChIInChI=1S/C22H27ClN4O5S/c1-26(15-22(29)25-19-12-16(23)8-9-20(19)32-2)14-21(28)24-17-6-5-7-18(13-17)33(30,31)27-10-3-4-11-27/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHQJQWVKRLVCEKO-UHFFFAOYSA-N
MW495.00 g/mol
LogP2.30
Rot. Bonds9

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4850448) has the molecular formula C22H27ClN4O5S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4850448
Molecular FormulaC22H27ClN4O5S
Molecular Weight495.00 g/mol
Exact Mass494.14
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC
InChIInChI=1S/C22H27ClN4O5S/c1-26(15-22(29)25-19-12-16(23)8-9-20(19)32-2)14-21(28)24-17-6-5-7-18(13-17)33(30,31)27-10-3-4-11-27/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHQJQWVKRLVCEKO-UHFFFAOYSA-N
XLogP2.30
TPSA116.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity771

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

SB-399885
CID 6918649
2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1084866
1-(5-Chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 4969266
N-(5-chloro-2-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822420
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
N-(3-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940155
2-((5-Chloro-2-hydroxyphenyl)(methyl)amino)-N-(3-(morpholinosulfonyl)phe-nyl)acetamide (7b)
CID 126962122
2-((5-Chloro-2-hydroxyphenyl)amino)-N-(3-(morpholinosulfonyl)phenyl)propanamide (7c)
CID 126962123
N-(5-Chloro-2-methoxy-phenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 654668

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4850448) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is CN(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)CC(=O)NC3=C(C=CC(=C3)Cl)OC.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HQJQWVKRLVCEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O5S/c1-26(15-22(29)25-19-12-16(23)8-9-20(19)32-2)14-21(28)24-17-6-5-7-18(13-17)33(30,31)27-10-3-4-11-27/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 495.00 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4850448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).