3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide

C22H20N2OS — CID 7995051

IUPAC3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C22H20N2OS/c1-17-10-11-21(26-17)16-24(13-12-18-6-3-2-4-7-18)22(25)20-9-5-8-19(14-20)15-23/h2-11,14H,12-13,16H2,1H3
InChIKeyWWXBOEHGKLVRKT-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.81
Rot. Bonds6

About 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide

3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide (PubChem CID 7995051) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
PubChem CID7995051
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C22H20N2OS/c1-17-10-11-21(26-17)16-24(13-12-18-6-3-2-4-7-18)22(25)20-9-5-8-19(14-20)15-23/h2-11,14H,12-13,16H2,1H3
InChIKeyWWXBOEHGKLVRKT-UHFFFAOYSA-N
XLogP4.81
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-nitro-N-(2-phenylethyl)benzamide
CID 18206620
5-chloro-N-[(5-methylthiophen-2-yl)methyl]-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 47061813
4-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-(2-phenylethyl)benzamide
CID 18206826
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide
CID 5038624
N-benzyl-2-[(3-cyanophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3659655
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(2-phenylethyl)quinoline-4-carboxamide
CID 55757012
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-tert-butyl-3-chlorobenzamide
CID 1059575
N-[(5-methylthiophen-2-yl)methyl]-3-nitro-N-(2-phenylethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 46538315
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide (CID 7995051) is 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide is Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc(C#N)c2)s1.
What is the InChIKey of 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide?
The InChIKey is WWXBOEHGKLVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-17-10-11-21(26-17)16-24(13-12-18-6-3-2-4-7-18)22(25)20-9-5-8-19(14-20)15-23/h2-11,14H,12-13,16H2,1H3.
What are the key properties of 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide?
3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 7995051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).