N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide

C15H14N2O2S2 — CID 8907694

IUPACN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S2/c1-19-12-2-4-13(5-3-12)20-9-7-14(18)17-15-11(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyPXLDWUYPAOJRGP-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.75
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 8907694) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID8907694
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H14N2O2S2/c1-19-12-2-4-13(5-3-12)20-9-7-14(18)17-15-11(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyPXLDWUYPAOJRGP-UHFFFAOYSA-N
XLogP3.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855148
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907459
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788004
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
methyl 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]butanoate
CID 62013277
N-(3-cyanothiophen-2-yl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19640169

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 8907694) is N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is PXLDWUYPAOJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-19-12-2-4-13(5-3-12)20-9-7-14(18)17-15-11(10-16)6-8-21-15/h2-6,8H,7,9H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 8907694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).