N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide

C18H22F2N2O4S — CID 46948681

IUPACN-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)c1F
InChIInChI=1S/C18H22F2N2O4S/c1-11-4-7-13(19)14(15(11)20)16(23)22-9-3-8-18(2,10-22)17(24)21-27(25,26)12-5-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,21,24)
InChIKeyYRAZWJZSMPTNDS-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.12
Rot. Bonds4

About N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide

N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide (PubChem CID 46948681) has the molecular formula C18H22F2N2O4S and a molecular weight of 400.45 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide
PubChem CID46948681
Molecular FormulaC18H22F2N2O4S
Molecular Weight400.45 g/mol
Exact Mass400.13
IUPAC NameN-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide
SMILESCc1ccc(F)c(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)c1F
InChIInChI=1S/C18H22F2N2O4S/c1-11-4-7-13(19)14(15(11)20)16(23)22-9-3-8-18(2,10-22)17(24)21-27(25,26)12-5-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,21,24)
InChIKeyYRAZWJZSMPTNDS-UHFFFAOYSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764172
2,6-difluoro-N-[[6-(4-propylsulfonylpiperazin-1-yl)spiro[2.5]octan-6-yl]methyl]benzamide
CID 71718094
2,6-difluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44420140
N-cyclopropylsulfonyl-3-methyl-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 49778484
N-cyclopropylsulfonyl-3-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 49790252
1-(2,3-dimethylbenzoyl)-3-methyl-N-propylsulfonylpyrrolidine-3-carboxamide
CID 49791432
1-(3-chloro-4-fluorobenzoyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 49795679
3-methyl-N-propylsulfonyl-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide
CID 49795788
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide
CID 118353791
4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 7423331
1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942790
N-cyclopropylsulfonyl-1-(2,6-difluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 46948108

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide (CID 46948681) is N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide is Cc1ccc(F)c(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)c1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is YRAZWJZSMPTNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O4S/c1-11-4-7-13(19)14(15(11)20)16(23)22-9-3-8-18(2,10-22)17(24)21-27(25,26)12-5-6-12/h4,7,12H,3,5-6,8-10H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide?
N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46948681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).