2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H24ClN3O4S — CID 16553115

IUPAC2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(Cl)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14-3-6-18(17(21)11-14)22-13-20(25)23-19-12-16(5-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyDOQMPIPYPLFQSI-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16553115) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16553115
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(Cl)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14-3-6-18(17(21)11-14)22-13-20(25)23-19-12-16(5-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeyDOQMPIPYPLFQSI-UHFFFAOYSA-N
XLogP3.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 27195451
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 46568097
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119680614
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 16553115) is 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is DOQMPIPYPLFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-14-3-6-18(17(21)11-14)22-13-20(25)23-19-12-16(5-4-15(19)2)29(26,27)24-7-9-28-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16553115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).