3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide

C18H17ClFNOS — CID 51886155

IUPAC3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C18H17ClFNOS/c19-13-4-1-12(2-5-13)3-8-18(22)21-16-9-10-23-17-7-6-14(20)11-15(16)17/h1-2,4-7,11,16H,3,8-10H2,(H,21,22)/t16-/m0/s1
InChIKeyLNHPKFAXASZBBF-INIZCTEOSA-N
MW349.86 g/mol
LogP4.76
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide

3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide (PubChem CID 51886155) has the molecular formula C18H17ClFNOS and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
PubChem CID51886155
Molecular FormulaC18H17ClFNOS
Molecular Weight349.86 g/mol
Exact Mass349.07
IUPAC Name3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C18H17ClFNOS/c19-13-4-1-12(2-5-13)3-8-18(22)21-16-9-10-23-17-7-6-14(20)11-15(16)17/h1-2,4-7,11,16H,3,8-10H2,(H,21,22)/t16-/m0/s1
InChIKeyLNHPKFAXASZBBF-INIZCTEOSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.76
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
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
3-(3,4-dimethoxyphenyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 26468911
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)-3-(3-methoxyphenyl)propanamide
CID 24543199
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylamino)butanamide
CID 54924628
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-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-[3-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17417612

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide (CID 51886155) is 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide is O=C(CCc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide?
The InChIKey is LNHPKFAXASZBBF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClFNOS/c19-13-4-1-12(2-5-13)3-8-18(22)21-16-9-10-23-17-7-6-14(20)11-15(16)17/h1-2,4-7,11,16H,3,8-10H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide?
3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide has a molecular weight of 349.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide is sourced from PubChem (CID 51886155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).