3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide

C20H22F2N2O3S — CID 52662681

IUPAC3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F2N2O3S/c21-16-10-8-15(14-17(16)22)9-11-20(25)23-18-6-2-3-7-19(18)28(26,27)24-12-4-1-5-13-24/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H,23,25)
InChIKeyMISLNXSEHLCEMT-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.71
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide

3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 52662681) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID52662681
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC Name3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F2N2O3S/c21-16-10-8-15(14-17(16)22)9-11-20(25)23-18-6-2-3-7-19(18)28(26,27)24-12-4-1-5-13-24/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H,23,25)
InChIKeyMISLNXSEHLCEMT-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55920587
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide (CID 52662681) is 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(F)c(F)c1)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MISLNXSEHLCEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c21-16-10-8-15(14-17(16)22)9-11-20(25)23-18-6-2-3-7-19(18)28(26,27)24-12-4-1-5-13-24/h2-3,6-8,10,14H,1,4-5,9,11-13H2,(H,23,25).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide?
3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 408.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 52662681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).