N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide

C19H21N3O4S — CID 70807213

IUPACN-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCC#N)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H21N3O4S/c1-15-8-3-6-11-18(15)27(24,25)22(14-19(23)21-13-7-12-20)16-9-4-5-10-17(16)26-2/h3-6,8-11H,7,13-14H2,1-2H3,(H,21,23)
InChIKeyWNDJCPKXRMHHLV-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.23
Rot. Bonds8

About N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide

N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide (PubChem CID 70807213) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide
PubChem CID70807213
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCC#N)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C19H21N3O4S/c1-15-8-3-6-11-18(15)27(24,25)22(14-19(23)21-13-7-12-20)16-9-4-5-10-17(16)26-2/h3-6,8-11H,7,13-14H2,1-2H3,(H,21,23)
InChIKeyWNDJCPKXRMHHLV-UHFFFAOYSA-N
XLogP2.23
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)butanamide
CID 91455361
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
(2-methylphenyl) N-(2-cyanoethyl)carbamate
CID 116819846
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30243119
N-[(3-fluoro-4-methylphenyl)methyl]-2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 24581755
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 53280467

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide (CID 70807213) is N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NCCC#N)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is WNDJCPKXRMHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-15-8-3-6-11-18(15)27(24,25)22(14-19(23)21-13-7-12-20)16-9-4-5-10-17(16)26-2/h3-6,8-11H,7,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide?
N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 70807213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).