N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide

C19H20N2O2S — CID 110774273

IUPACN-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCS3)cc1
InChIInChI=1S/C19H20N2O2S/c1-13(22)20-16-5-7-17(8-6-16)21-19(23)12-14-4-9-18-15(11-14)3-2-10-24-18/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHKCAKDMQFXOGH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.86
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide

N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide (PubChem CID 110774273) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
PubChem CID110774273
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCS3)cc1
InChIInChI=1S/C19H20N2O2S/c1-13(22)20-16-5-7-17(8-6-16)21-19(23)12-14-4-9-18-15(11-14)3-2-10-24-18/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHKCAKDMQFXOGH-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100
2-(3,4-dihydro-2H-thiochromen-6-ylmethyl)prop-2-enoic acid
CID 116866278
3-cyano-N-(3,4-dihydro-2H-thiochromen-6-yl)propanamide
CID 115173559
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
methyl 2-(3,4-dihydro-2H-thiochromen-6-ylamino)acetate
CID 115232712
1-[4-[2-(3,4-dihydro-2H-thiochromen-6-yl)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110804073
3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
CID 115154228
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide (CID 110774273) is N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCS3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide?
The InChIKey is HHKCAKDMQFXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(22)20-16-5-7-17(8-6-16)21-19(23)12-14-4-9-18-15(11-14)3-2-10-24-18/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide?
N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide is sourced from PubChem (CID 110774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).