2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide

C14H18FNOS — CID 81482286

IUPAC2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCCS2)c1F
InChIInChI=1S/C14H18FNOS/c1-10-5-4-7-12(13(10)15)14(17)16-9-11-6-2-3-8-18-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyODBYYOUEEJCISK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.15
Rot. Bonds3

About 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide

2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide (PubChem CID 81482286) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
PubChem CID81482286
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCCS2)c1F
InChIInChI=1S/C14H18FNOS/c1-10-5-4-7-12(13(10)15)14(17)16-9-11-6-2-3-8-18-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyODBYYOUEEJCISK-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
3-methyl-2-(thian-2-ylmethylcarbamoylamino)benzoic acid
CID 80609408
5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
CID 80599963
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-3-methylbenzamide
CID 81344083
2-bromo-5-sulfanyl-N-(thian-2-ylmethyl)benzamide
CID 107032840
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide (CID 81482286) is 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide is Cc1cccc(C(=O)NCC2CCCCS2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide?
The InChIKey is ODBYYOUEEJCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-10-5-4-7-12(13(10)15)14(17)16-9-11-6-2-3-8-18-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide?
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide is sourced from PubChem (CID 81482286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).