2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide

C17H16ClNO2S — CID 7678588

IUPAC2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H16ClNO2S/c18-12-5-7-13(8-6-12)21-11-17(20)19-15-9-10-22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20)/t15-/m1/s1
InChIKeyQOFKFFCCOUEDIH-OAHLLOKOSA-N
MW333.84 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide

2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide (PubChem CID 7678588) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
PubChem CID7678588
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC Name2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H16ClNO2S/c18-12-5-7-13(8-6-12)21-11-17(20)19-15-9-10-22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20)/t15-/m1/s1
InChIKeyQOFKFFCCOUEDIH-OAHLLOKOSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 42945211
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(3-methylphenoxy)acetamide
CID 18193172
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 24547806
2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 97016809
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 51247378
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 42885170
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide (CID 7678588) is 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
The InChIKey is QOFKFFCCOUEDIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c18-12-5-7-13(8-6-12)21-11-17(20)19-15-9-10-22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide has a molecular weight of 333.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide is sourced from PubChem (CID 7678588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).