4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

C18H18FNOS — CID 26468741

IUPAC4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1
InChIInChI=1S/C18H18FNOS/c1-2-12-3-5-13(6-4-12)18(21)20-16-9-10-22-17-8-7-14(19)11-15(16)17/h3-8,11,16H,2,9-10H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyCLRLKEMJURXBAB-MRXNPFEDSA-N
MW315.41 g/mol
LogP4.36
Rot. Bonds3

About 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (PubChem CID 26468741) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
PubChem CID26468741
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCCc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1
InChIInChI=1S/C18H18FNOS/c1-2-12-3-5-13(6-4-12)18(21)20-16-9-10-22-17-8-7-14(19)11-15(16)17/h3-8,11,16H,2,9-10H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyCLRLKEMJURXBAB-MRXNPFEDSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylsulfanylmethyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 75903187
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(prop-2-enoylamino)benzamide
CID 166403528
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002579
4-ethoxy-N-[2-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]benzamide
CID 26958948
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
3,5-dichloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 24516450
4-tert-butyl-N-[(2S)-1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 55935959
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (CID 26468741) is 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is CCc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1.
What is the InChIKey of 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The InChIKey is CLRLKEMJURXBAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-2-12-3-5-13(6-4-12)18(21)20-16-9-10-22-17-8-7-14(19)11-15(16)17/h3-8,11,16H,2,9-10H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide has a molecular weight of 315.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is sourced from PubChem (CID 26468741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).