N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide

C18H18FNOS — CID 26468733

IUPACN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C18H18FNOS/c1-11-7-12(2)9-13(8-11)18(21)20-16-5-6-22-17-4-3-14(19)10-15(16)17/h3-4,7-10,16H,5-6H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyLKBFDUKJNAWESY-MRXNPFEDSA-N
MW315.41 g/mol
LogP4.41
Rot. Bonds2

About N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide (PubChem CID 26468733) 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]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
PubChem CID26468733
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC NameN-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C18H18FNOS/c1-11-7-12(2)9-13(8-11)18(21)20-16-5-6-22-17-4-3-14(19)10-15(16)17/h3-4,7-10,16H,5-6H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyLKBFDUKJNAWESY-MRXNPFEDSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
3,5-dichloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 24516450
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002579
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-methylsulfonylbenzamide
CID 51481709
4-(ethylsulfanylmethyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 75903187
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
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)-1,2-dimethylbenzimidazole-5-carboxamide
CID 47088892
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide?
The IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide (CID 26468733) is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1.
What is the InChIKey of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide?
The InChIKey is LKBFDUKJNAWESY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-11-7-12(2)9-13(8-11)18(21)20-16-5-6-22-17-4-3-14(19)10-15(16)17/h3-4,7-10,16H,5-6H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide?
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide has a molecular weight of 315.41 g/mol, XLogP of 4.41, 2 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]-3,5-dimethylbenzamide is sourced from PubChem (CID 26468733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).