2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H27N3O5S — CID 4969625

IUPAC2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O5S/c1-15-4-5-16(2)18(12-15)22-14-21(25)23-17-6-7-19(28-3)20(13-17)30(26,27)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyJMZHTFZUUJHNFA-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.38
Rot. Bonds7

About 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4969625) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4969625
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O5S/c1-15-4-5-16(2)18(12-15)22-14-21(25)23-17-6-7-19(28-3)20(13-17)30(26,27)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyJMZHTFZUUJHNFA-UHFFFAOYSA-N
XLogP2.38
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
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-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4969625) is 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is JMZHTFZUUJHNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15-4-5-16(2)18(12-15)22-14-21(25)23-17-6-7-19(28-3)20(13-17)30(26,27)24-8-10-29-11-9-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4969625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).