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

C18H21N3O5S — CID 1316906

IUPACN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(22)19-14-4-6-15(7-5-14)20-18(23)12-21(2)27(24,25)17-10-8-16(26-3)9-11-17/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyALMOLXMGZMEEPK-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.91
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1316906) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1316906
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(22)19-14-4-6-15(7-5-14)20-18(23)12-21(2)27(24,25)17-10-8-16(26-3)9-11-17/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyALMOLXMGZMEEPK-UHFFFAOYSA-N
XLogP1.91
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
ethyl 2-[4-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]phenyl]acetate
CID 100794256
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794232
methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 94079433

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 1316906) is N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is ALMOLXMGZMEEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(22)19-14-4-6-15(7-5-14)20-18(23)12-21(2)27(24,25)17-10-8-16(26-3)9-11-17/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1316906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).