N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

C18H20N2O5S — CID 112999558

IUPACN-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(C)=O)c2)c(C)c1
InChIInChI=1S/C18H20N2O5S/c1-12-9-16(25-3)7-8-17(12)26(23,24)19-11-18(22)20-15-6-4-5-14(10-15)13(2)21/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyUKFTXWQARNEDMF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.12
Rot. Bonds7

About N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 112999558) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
PubChem CID112999558
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(C)=O)c2)c(C)c1
InChIInChI=1S/C18H20N2O5S/c1-12-9-16(25-3)7-8-17(12)26(23,24)19-11-18(22)20-15-6-4-5-14(10-15)13(2)21/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyUKFTXWQARNEDMF-UHFFFAOYSA-N
XLogP2.12
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998681
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (CID 112999558) is N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(C)=O)c2)c(C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UKFTXWQARNEDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12-9-16(25-3)7-8-17(12)26(23,24)19-11-18(22)20-15-6-4-5-14(10-15)13(2)21/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 376.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112999558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).