N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide

C20H29FN2O3S — CID 55624988

IUPACN-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)C(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C1CC1
InChIInChI=1S/C20H29FN2O3S/c1-14(2)15(3)23(17-8-9-17)20(24)16-7-10-18(21)19(13-16)27(25,26)22-11-5-4-6-12-22/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyFBOIZJWCNCRFBM-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.65
Rot. Bonds6

About N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide

N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55624988) has the molecular formula C20H29FN2O3S and a molecular weight of 396.53 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55624988
Molecular FormulaC20H29FN2O3S
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC NameN-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)C(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C1CC1
InChIInChI=1S/C20H29FN2O3S/c1-14(2)15(3)23(17-8-9-17)20(24)16-7-10-18(21)19(13-16)27(25,26)22-11-5-4-6-12-22/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyFBOIZJWCNCRFBM-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119202341
4-fluoro-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2380936
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46598939
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 55625184
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 60585979
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 55624988) is N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide is CC(C)C(C)N(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FBOIZJWCNCRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3S/c1-14(2)15(3)23(17-8-9-17)20(24)16-7-10-18(21)19(13-16)27(25,26)22-11-5-4-6-12-22/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55624988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).