N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide

C16H21F2NO3S — CID 71874448

IUPACN-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
SMILESCN(CC1CCCC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H21F2NO3S/c1-19(11-13-4-2-3-5-13)15(20)10-12-6-8-14(9-7-12)23(21,22)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyOXAXWKPUWOWVBL-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.87
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide

N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide (PubChem CID 71874448) has the molecular formula C16H21F2NO3S and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
PubChem CID71874448
Molecular FormulaC16H21F2NO3S
Molecular Weight345.41 g/mol
Exact Mass345.12
IUPAC NameN-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide
SMILESCN(CC1CCCC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H21F2NO3S/c1-19(11-13-4-2-3-5-13)15(20)10-12-6-8-14(9-7-12)23(21,22)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyOXAXWKPUWOWVBL-UHFFFAOYSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
CID 112840908
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119610407
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone
CID 119410753
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone;hydrochloride
CID 119435666
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119561309
(2R,3R)-1-[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116006
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511600

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide (CID 71874448) is N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide is CN(CC1CCCC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide?
The InChIKey is OXAXWKPUWOWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO3S/c1-19(11-13-4-2-3-5-13)15(20)10-12-6-8-14(9-7-12)23(21,22)16(17)18/h6-9,13,16H,2-5,10-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide?
N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide has a molecular weight of 345.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[4-(difluoromethylsulfonyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 71874448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).