2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C18H20ClN3O4S — CID 26417047

IUPAC2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-14-2-1-3-16(12-14)20-13-18(23)21-15-4-6-17(7-5-15)27(24,25)22-8-10-26-11-9-22/h1-7,12,20H,8-11,13H2,(H,21,23)
InChIKeyNLIZUIFCCUPALR-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.41
Rot. Bonds6

About 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 26417047) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID26417047
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-14-2-1-3-16(12-14)20-13-18(23)21-15-4-6-17(7-5-15)27(24,25)22-8-10-26-11-9-22/h1-7,12,20H,8-11,13H2,(H,21,23)
InChIKeyNLIZUIFCCUPALR-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
1-[2-(3-chlorophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17271580
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-(2,5-difluorophenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 9083286
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 26417047) is 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CNc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NLIZUIFCCUPALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c19-14-2-1-3-16(12-14)20-13-18(23)21-15-4-6-17(7-5-15)27(24,25)22-8-10-26-11-9-22/h1-7,12,20H,8-11,13H2,(H,21,23).
What are the key properties of 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 26417047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).