N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide

C18H19N3O4S — CID 113002096

IUPACN-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-8-16(25-3)17(9-13(12)2)26(23,24)20-11-18(22)21-15-6-4-14(10-19)5-7-15/h4-9,20H,11H2,1-3H3,(H,21,22)
InChIKeyCIVIFRPKIUQXMJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.10
Rot. Bonds6

About N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide

N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 113002096) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
PubChem CID113002096
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-8-16(25-3)17(9-13(12)2)26(23,24)20-11-18(22)21-15-6-4-14(10-19)5-7-15/h4-9,20H,11H2,1-3H3,(H,21,22)
InChIKeyCIVIFRPKIUQXMJ-UHFFFAOYSA-N
XLogP2.10
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 112997229
N-(3,4-difluorophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 113002363
N-(4-chlorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112997944
N-(3,4-dimethylphenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112996580
2-[(4-tert-butylphenyl)sulfonylamino]-N-(4-cyanophenyl)acetamide
CID 113002113
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
methyl 2-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104203
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999333
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998681
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide (CID 113002096) is N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is CIVIFRPKIUQXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-8-16(25-3)17(9-13(12)2)26(23,24)20-11-18(22)21-15-6-4-14(10-19)5-7-15/h4-9,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide?
N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113002096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).