2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide

C14H18F2N2O3S — CID 119511600

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC1CCCN1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-9-11-2-1-7-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyCTCIQWMVLHOBMO-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.09
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide

2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119511600) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119511600
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC1CCCN1
InChIInChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-9-11-2-1-7-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyCTCIQWMVLHOBMO-UHFFFAOYSA-N
XLogP1.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601223
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-[[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]amino]acetic acid
CID 119349957
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119511600) is 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC1CCCN1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is CTCIQWMVLHOBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c15-14(16)22(20,21)12-5-3-10(4-6-12)8-13(19)18-9-11-2-1-7-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19).
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide?
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 332.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119511600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).