N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide

C21H24N2O3S — CID 60615525

IUPACN-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)CCCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C21H24N2O3S/c1-17(2)23(20-12-6-10-19(14-20)15-22)21(24)16-27(25,26)13-7-11-18-8-4-3-5-9-18/h3-6,8-10,12,14,17H,7,11,13,16H2,1-2H3
InChIKeyJEBYOUAHDJGSFT-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.35
Rot. Bonds8

About N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide

N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide (PubChem CID 60615525) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
PubChem CID60615525
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)CCCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C21H24N2O3S/c1-17(2)23(20-12-6-10-19(14-20)15-22)21(24)16-27(25,26)13-7-11-18-8-4-3-5-9-18/h3-6,8-10,12,14,17H,7,11,13,16H2,1-2H3
InChIKeyJEBYOUAHDJGSFT-UHFFFAOYSA-N
XLogP3.35
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)methylsulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 8929088
N,N-bis(cyanomethyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 60612812
2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]propanoic acid
CID 119209215
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
CID 55703716
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113146866
3-[methyl(4-phenylbutyl)amino]benzonitrile
CID 114333608
2-[3-cyano-N-(2-phenylethyl)anilino]butanoic acid
CID 21217896
ethyl 2-(N-benzyl-3-cyanoanilino)propanoate
CID 142029964
3-[3-ethylsulfonylpropyl(methyl)amino]benzonitrile
CID 65092958
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyanophenyl)-N-propan-2-ylacetamide
CID 60615348
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide (CID 60615525) is N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CS(=O)(=O)CCCc1ccccc1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide?
The InChIKey is JEBYOUAHDJGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-17(2)23(20-12-6-10-19(14-20)15-22)21(24)16-27(25,26)13-7-11-18-8-4-3-5-9-18/h3-6,8-10,12,14,17H,7,11,13,16H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide?
N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide has a molecular weight of 384.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 60615525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).