N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide

C19H22N2OS — CID 19590846

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1sc(NC(=O)CCc2ccc(C(C)C)cc2)c(C#N)c1C
InChIInChI=1S/C19H22N2OS/c1-12(2)16-8-5-15(6-9-16)7-10-18(22)21-19-17(11-20)13(3)14(4)23-19/h5-6,8-9,12H,7,10H2,1-4H3,(H,21,22)
InChIKeyYOLIPDHEVADVHH-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.93
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 19590846) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID19590846
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1sc(NC(=O)CCc2ccc(C(C)C)cc2)c(C#N)c1C
InChIInChI=1S/C19H22N2OS/c1-12(2)16-8-5-15(6-9-16)7-10-18(22)21-19-17(11-20)13(3)14(4)23-19/h5-6,8-9,12H,7,10H2,1-4H3,(H,21,22)
InChIKeyYOLIPDHEVADVHH-UHFFFAOYSA-N
XLogP4.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide (CID 19590846) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide is Cc1sc(NC(=O)CCc2ccc(C(C)C)cc2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is YOLIPDHEVADVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-12(2)16-8-5-15(6-9-16)7-10-18(22)21-19-17(11-20)13(3)14(4)23-19/h5-6,8-9,12H,7,10H2,1-4H3,(H,21,22).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 326.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 19590846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).