3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide

C17H23F2N3O4S — CID 52526985

IUPAC3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C17H23F2N3O4S/c18-17(19)27(25,26)14-6-2-1-5-13(14)21-16(24)11-22-9-3-4-12(10-22)7-8-15(20)23/h1-2,5-6,12,17H,3-4,7-11H2,(H2,20,23)(H,21,24)/t12-/m1/s1
InChIKeyMSMVKWXZUSVTJQ-GFCCVEGCSA-N
MW403.45 g/mol
LogP1.60
Rot. Bonds8

About 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide

3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide (PubChem CID 52526985) has the molecular formula C17H23F2N3O4S and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide
PubChem CID52526985
Molecular FormulaC17H23F2N3O4S
Molecular Weight403.45 g/mol
Exact Mass403.14
IUPAC Name3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide
SMILESNC(=O)CC[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C17H23F2N3O4S/c18-17(19)27(25,26)14-6-2-1-5-13(14)21-16(24)11-22-9-3-4-12(10-22)7-8-15(20)23/h1-2,5-6,12,17H,3-4,7-11H2,(H2,20,23)(H,21,24)/t12-/m1/s1
InChIKeyMSMVKWXZUSVTJQ-GFCCVEGCSA-N
XLogP1.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55464521
3-[1-[2-(2-benzylanilino)-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101341
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55850457
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110878848
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 55468782
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide (CID 52526985) is 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide is NC(=O)CC[C@H]1CCCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1.
What is the InChIKey of 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide?
The InChIKey is MSMVKWXZUSVTJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23F2N3O4S/c18-17(19)27(25,26)14-6-2-1-5-13(14)21-16(24)11-22-9-3-4-12(10-22)7-8-15(20)23/h1-2,5-6,12,17H,3-4,7-11H2,(H2,20,23)(H,21,24)/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide?
3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide has a molecular weight of 403.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 52526985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).