N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide

C14H18N2O4S — CID 64690595

IUPACN-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
SMILESCOCCS(=O)(=O)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O4S/c1-20-8-10-21(18,19)9-4-7-14(17)16-13-6-3-2-5-12(13)11-15/h2-3,5-6H,4,7-10H2,1H3,(H,16,17)
InChIKeyXPCJWQMFFSEZFT-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.34
Rot. Bonds8

About N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide

N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide (PubChem CID 64690595) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
PubChem CID64690595
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC NameN-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
SMILESCOCCS(=O)(=O)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O4S/c1-20-8-10-21(18,19)9-4-7-14(17)16-13-6-3-2-5-12(13)11-15/h2-3,5-6H,4,7-10H2,1H3,(H,16,17)
InChIKeyXPCJWQMFFSEZFT-UHFFFAOYSA-N
XLogP1.34
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
N-(5-amino-2-methylphenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 43446193
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
N-(2-cyanophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659032
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide (CID 64690595) is N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide is COCCS(=O)(=O)CCCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide?
The InChIKey is XPCJWQMFFSEZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-20-8-10-21(18,19)9-4-7-14(17)16-13-6-3-2-5-12(13)11-15/h2-3,5-6H,4,7-10H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide?
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide has a molecular weight of 310.37 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide is sourced from PubChem (CID 64690595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).