2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

C21H26N4O5S — CID 2112970

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-16(26)22-17-7-9-18(10-8-17)31(28,29)24(2)15-21(27)23-19-5-3-4-6-20(19)25-11-13-30-14-12-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLMAPZNSAVHVHCP-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.74
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 2112970) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID2112970
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-16(26)22-17-7-9-18(10-8-17)31(28,29)24(2)15-21(27)23-19-5-3-4-6-20(19)25-11-13-30-14-12-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLMAPZNSAVHVHCP-UHFFFAOYSA-N
XLogP1.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17431538
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7718780
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide (CID 2112970) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is LMAPZNSAVHVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-16(26)22-17-7-9-18(10-8-17)31(28,29)24(2)15-21(27)23-19-5-3-4-6-20(19)25-11-13-30-14-12-25/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2112970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).