N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide

C19H21NO3S — CID 97278413

IUPACN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
SMILESCOc1cccc2c1OC[C@H](CNC(=O)CSc1ccccc1)C2
InChIInChI=1S/C19H21NO3S/c1-22-17-9-5-6-15-10-14(12-23-19(15)17)11-20-18(21)13-24-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyCEFNJHHEILTVNT-AWEZNQCLSA-N
MW343.45 g/mol
LogP3.15
Rot. Bonds6

About N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide (PubChem CID 97278413) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
PubChem CID97278413
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
SMILESCOc1cccc2c1OC[C@H](CNC(=O)CSc1ccccc1)C2
InChIInChI=1S/C19H21NO3S/c1-22-17-9-5-6-15-10-14(12-23-19(15)17)11-20-18(21)13-24-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyCEFNJHHEILTVNT-AWEZNQCLSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 72838629
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72881967
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 97192487
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 72839596
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 97194893
3-[4-(dimethylamino)phenyl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72867682
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 97284153
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 97207845
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 72931030
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 97210078

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide (CID 97278413) is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide is COc1cccc2c1OC[C@H](CNC(=O)CSc1ccccc1)C2.
What is the InChIKey of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is CEFNJHHEILTVNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-22-17-9-5-6-15-10-14(12-23-19(15)17)11-20-18(21)13-24-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide?
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 343.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 97278413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).