N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C20H21Cl2N3O5S — CID 30271008

IUPACN-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21Cl2N3O5S/c1-31(28,29)25(13-18(26)23-17-4-2-3-16(21)19(17)22)15-7-5-14(6-8-15)20(27)24-9-11-30-12-10-24/h2-8H,9-13H2,1H3,(H,23,26)
InChIKeyYQXIGBQKPGVZKI-UHFFFAOYSA-N
MW486.38 g/mol
LogP2.87
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 30271008) has the molecular formula C20H21Cl2N3O5S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID30271008
Molecular FormulaC20H21Cl2N3O5S
Molecular Weight486.38 g/mol
Exact Mass485.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21Cl2N3O5S/c1-31(28,29)25(13-18(26)23-17-4-2-3-16(21)19(17)22)15-7-5-14(6-8-15)20(27)24-9-11-30-12-10-24/h2-8H,9-13H2,1H3,(H,23,26)
InChIKeyYQXIGBQKPGVZKI-UHFFFAOYSA-N
XLogP2.87
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265158
N-(2,5-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30262278
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361
N-(4-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265040
methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
CID 30269435
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901121
N-(5-chloro-2-methoxyphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30264918
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 30271008) is N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is YQXIGBQKPGVZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O5S/c1-31(28,29)25(13-18(26)23-17-4-2-3-16(21)19(17)22)15-7-5-14(6-8-15)20(27)24-9-11-30-12-10-24/h2-8H,9-13H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 486.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 30271008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).