N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide

C18H16F3NOS — CID 145095071

IUPACN-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide
SMILESCC1(Sc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CCC1
InChIInChI=1S/C18H16F3NOS/c1-18(7-2-8-18)24-16-9-11(3-5-14(16)20)17(23)22-12-4-6-13(19)15(21)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)
InChIKeyYKANLOCJMMPBPY-UHFFFAOYSA-N
MW351.39 g/mol
LogP5.39
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide

N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide (PubChem CID 145095071) has the molecular formula C18H16F3NOS and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide
PubChem CID145095071
Molecular FormulaC18H16F3NOS
Molecular Weight351.39 g/mol
Exact Mass351.09
IUPAC NameN-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide
SMILESCC1(Sc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CCC1
InChIInChI=1S/C18H16F3NOS/c1-18(7-2-8-18)24-16-9-11(3-5-14(16)20)17(23)22-12-4-6-13(19)15(21)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)
InChIKeyYKANLOCJMMPBPY-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.39
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
CID 76900732
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
3-(4-acetylcyclohexyl)sulfanyl-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 121370673
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
4-[2-fluoro-5-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]sulfanyl-1-methylcyclohexane-1-carboxylic acid
CID 121370711
4-chloro-N-(3,4-difluorophenyl)-3-(methylaminomethylsulfanyl)benzamide
CID 167246710
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
3-[(1-ethylcyclopropyl)methylsulfanyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 145095059

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide (CID 145095071) is N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide is CC1(Sc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide?
The InChIKey is YKANLOCJMMPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NOS/c1-18(7-2-8-18)24-16-9-11(3-5-14(16)20)17(23)22-12-4-6-13(19)15(21)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide?
N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide has a molecular weight of 351.39 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide is sourced from PubChem (CID 145095071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).