5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide

C19H25FN2O3S — CID 118120256

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F
InChIInChI=1S/C19H25FN2O3S/c20-18-10-14(12-22-8-2-1-3-9-22)16(13-4-5-13)11-17(18)19(23)21-26(24,25)15-6-7-15/h10-11,13,15H,1-9,12H2,(H,21,23)
InChIKeyNDKIVJCDWZVWBA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.91
Rot. Bonds6

About 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide

5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 118120256) has the molecular formula C19H25FN2O3S and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
PubChem CID118120256
Molecular FormulaC19H25FN2O3S
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F
InChIInChI=1S/C19H25FN2O3S/c20-18-10-14(12-22-8-2-1-3-9-22)16(13-4-5-13)11-17(18)19(23)21-26(24,25)15-6-7-15/h10-11,13,15H,1-9,12H2,(H,21,23)
InChIKeyNDKIVJCDWZVWBA-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide 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

5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-fluorobenzamide
CID 118110668
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[4-(4-fluorophenyl)-4-(methoxymethyl)piperidin-1-yl]methyl]benzamide
CID 118353669
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide
CID 118353791
5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonyl-N-sulfanylbenzamide
CID 132274449
N-cyclopropylsulfonyl-1-(5-fluoro-2-methylbenzoyl)-3-methylpiperidine-3-carboxamide
CID 49790256
US10059668, Example 30
CID 129098117
US10059668, Example 39
CID 129098156
US10059668, Example 54
CID 129098230
1-(4-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 32680304
N-[[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 49506176
(4-(Cyclopropylsulfonyl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 49677270
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide
CID 53042710

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide (CID 118120256) is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide is O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(CN2CCCCC2)cc1F.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is NDKIVJCDWZVWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S/c20-18-10-14(12-22-8-2-1-3-9-22)16(13-4-5-13)11-17(18)19(23)21-26(24,25)15-6-7-15/h10-11,13,15H,1-9,12H2,(H,21,23).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 118120256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).