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

C18H18FNOS — CID 26468671

IUPACN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C18H18FNOS/c19-14-7-8-17-15(12-14)16(10-11-22-17)20-18(21)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,16H,6,9-11H2,(H,20,21)/t16-/m1/s1
InChIKeyLLHHKIROFHRSBQ-MRXNPFEDSA-N
MW315.41 g/mol
LogP4.11
Rot. Bonds4

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

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide (PubChem CID 26468671) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
PubChem CID26468671
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C18H18FNOS/c19-14-7-8-17-15(12-14)16(10-11-22-17)20-18(21)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,16H,6,9-11H2,(H,20,21)/t16-/m1/s1
InChIKeyLLHHKIROFHRSBQ-MRXNPFEDSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 51886155
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 24543199
3-(3,4-dimethoxyphenyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 26468911
N-[3-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17417612
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylamino)butanamide
CID 54924628
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
4-ethoxy-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 56684412
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide (CID 26468671) is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21.
What is the InChIKey of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide?
The InChIKey is LLHHKIROFHRSBQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-14-7-8-17-15(12-14)16(10-11-22-17)20-18(21)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,16H,6,9-11H2,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide?
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide has a molecular weight of 315.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 26468671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).