2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H24ClN3O5S — CID 26417504

IUPAC2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24ClN3O5S/c1-14-16(21)4-3-5-17(14)22-13-20(25)23-15-6-7-18(28-2)19(12-15)30(26,27)24-8-10-29-11-9-24/h3-7,12,22H,8-11,13H2,1-2H3,(H,23,25)
InChIKeyABMCTYHJFMUUNM-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.73
Rot. Bonds7

About 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 26417504) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID26417504
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC Name2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H24ClN3O5S/c1-14-16(21)4-3-5-17(14)22-13-20(25)23-15-6-7-18(28-2)19(12-15)30(26,27)24-8-10-29-11-9-24/h3-7,12,22H,8-11,13H2,1-2H3,(H,23,25)
InChIKeyABMCTYHJFMUUNM-UHFFFAOYSA-N
XLogP2.73
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4968362
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4840852
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 26417504) is 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is ABMCTYHJFMUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-14-16(21)4-3-5-17(14)22-13-20(25)23-15-6-7-18(28-2)19(12-15)30(26,27)24-8-10-29-11-9-24/h3-7,12,22H,8-11,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 453.95 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 26417504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).