N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide

C19H24F3NOS — CID 143594852

IUPACN-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide
SMILESCC(F)(F)C(S)c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1
InChIInChI=1S/C19H24F3NOS/c1-19(21,22)17(25)12-2-4-13(5-3-12)18(24)23(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-17,25H,6-11H2,1H3
InChIKeyHENDSRCEGUNZMS-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.20
Rot. Bonds5

About N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide

N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide (PubChem CID 143594852) has the molecular formula C19H24F3NOS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide
PubChem CID143594852
Molecular FormulaC19H24F3NOS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC NameN-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide
SMILESCC(F)(F)C(S)c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1
InChIInChI=1S/C19H24F3NOS/c1-19(21,22)17(25)12-2-4-13(5-3-12)18(24)23(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-17,25H,6-11H2,1H3
InChIKeyHENDSRCEGUNZMS-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 143379429
4-(1-amino-2,2-difluoro-2-phosphanylethyl)-N-(4-cyanocyclohexyl)-N-cyclopropylbenzamide
CID 143594814
N-(4-carbamoylcyclohexyl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987480
N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-cyclopropyl-N-(4-cyclopropyl-4-hydroxycyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 67251749
N-cyclopropyl-N-[1-(oxan-4-yl)piperidin-4-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide;ethane
CID 143594524
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 24859388
4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 24859815
N-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 59031016
N-(3-acetyl-4-nitrosocyclohex-3-en-1-yl)-N-cyclopropyl-4-propan-2-ylbenzamide
CID 90378166
N-cyclopropyl-4-fluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide
CID 24966475

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide (CID 143594852) is N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide is CC(F)(F)C(S)c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide?
The InChIKey is HENDSRCEGUNZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NOS/c1-19(21,22)17(25)12-2-4-13(5-3-12)18(24)23(16-10-11-16)15-8-6-14(20)7-9-15/h2-5,14-17,25H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide?
N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide has a molecular weight of 371.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide is sourced from PubChem (CID 143594852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).