2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C27H31N3O6S2 — CID 4151402

IUPAC2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C27H31N3O6S2/c1-20-5-10-25(11-6-20)38(34,35)30(26-18-21(2)4-7-22(26)3)19-27(31)28-23-8-12-24(13-9-23)37(32,33)29-14-16-36-17-15-29/h4-13,18H,14-17,19H2,1-3H3,(H,28,31)
InChIKeyYQQQGCSHHBWTBZ-UHFFFAOYSA-N
MW557.69 g/mol
LogP3.47
Rot. Bonds8

About 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4151402) has the molecular formula C27H31N3O6S2 and a molecular weight of 557.69 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4151402
Molecular FormulaC27H31N3O6S2
Molecular Weight557.69 g/mol
Exact Mass557.17
IUPAC Name2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C27H31N3O6S2/c1-20-5-10-25(11-6-20)38(34,35)30(26-18-21(2)4-7-22(26)3)19-27(31)28-23-8-12-24(13-9-23)37(32,33)29-14-16-36-17-15-29/h4-13,18H,14-17,19H2,1-3H3,(H,28,31)
InChIKeyYQQQGCSHHBWTBZ-UHFFFAOYSA-N
XLogP3.47
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
2-[3-methylbutyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4017025
N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55890930
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892907
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894944
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17201133

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 4151402) is 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is YQQQGCSHHBWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6S2/c1-20-5-10-25(11-6-20)38(34,35)30(26-18-21(2)4-7-22(26)3)19-27(31)28-23-8-12-24(13-9-23)37(32,33)29-14-16-36-17-15-29/h4-13,18H,14-17,19H2,1-3H3,(H,28,31).
What are the key properties of 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 557.69 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4151402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).