N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

C18H16N2O3S — CID 110774350

IUPACN-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C18H16N2O3S/c19-12-15-4-1-2-6-16(15)20-18(21)11-13-7-8-17-14(10-13)5-3-9-24(17,22)23/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21)
InChIKeyYNTWORCLQHBCFN-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.46
Rot. Bonds3

About N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide

N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (PubChem CID 110774350) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
PubChem CID110774350
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C18H16N2O3S/c19-12-15-4-1-2-6-16(15)20-18(21)11-13-7-8-17-14(10-13)5-3-9-24(17,22)23/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21)
InChIKeyYNTWORCLQHBCFN-UHFFFAOYSA-N
XLogP2.46
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
CID 110774336
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110774353
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(3-methylbutyl)acetamide
CID 110774321
N-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110787019
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(3-cyanophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 110766779
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide (CID 110774350) is N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is N#Cc1ccccc1NC(=O)Cc1ccc2c(c1)CCCS2(=O)=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The InChIKey is YNTWORCLQHBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c19-12-15-4-1-2-6-16(15)20-18(21)11-13-7-8-17-14(10-13)5-3-9-24(17,22)23/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide?
N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide is sourced from PubChem (CID 110774350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).