2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide

C20H21N5O4S — CID 55531022

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H21N5O4S/c1-15(26)22-16-5-9-19(10-6-16)30(28,29)24(2)13-20(27)23-17-3-7-18(8-4-17)25-12-11-21-14-25/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNOWYXQICOOMDPW-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.09
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 55531022) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
PubChem CID55531022
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H21N5O4S/c1-15(26)22-16-5-9-19(10-6-16)30(28,29)24(2)13-20(27)23-17-3-7-18(8-4-17)25-12-11-21-14-25/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNOWYXQICOOMDPW-UHFFFAOYSA-N
XLogP2.09
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55956292
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122291620
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide (CID 55531022) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is NOWYXQICOOMDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-15(26)22-16-5-9-19(10-6-16)30(28,29)24(2)13-20(27)23-17-3-7-18(8-4-17)25-12-11-21-14-25/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 427.49 g/mol, XLogP of 2.09, 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-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55531022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).