4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

C15H16FNOS2 — CID 107024895

IUPAC4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C15H16FNOS2/c1-10(2)17(9-12-4-3-7-20-12)15(18)11-5-6-13(16)14(19)8-11/h3-8,10,19H,9H2,1-2H3
InChIKeyVJAPDWPPJYRDFZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.23
Rot. Bonds4

About 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 107024895) has the molecular formula C15H16FNOS2 and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID107024895
Molecular FormulaC15H16FNOS2
Molecular Weight309.43 g/mol
Exact Mass309.07
IUPAC Name4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C15H16FNOS2/c1-10(2)17(9-12-4-3-7-20-12)15(18)11-5-6-13(16)14(19)8-11/h3-8,10,19H,9H2,1-2H3
InChIKeyVJAPDWPPJYRDFZ-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119180922
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4596122
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide (CID 107024895) is 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is CC(C)N(Cc1cccs1)C(=O)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VJAPDWPPJYRDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS2/c1-10(2)17(9-12-4-3-7-20-12)15(18)11-5-6-13(16)14(19)8-11/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 309.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 107024895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).