4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

C19H21F2NO3S — CID 96534711

IUPAC4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C19H21F2NO3S/c1-3-14-4-8-16(9-5-14)13(2)22-18(23)17-10-6-15(7-11-17)12-26(24,25)19(20)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyKXXKCDDZGJEWCM-ZDUSSCGKSA-N
MW381.44 g/mol
LogP3.88
Rot. Bonds7

About 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 96534711) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
PubChem CID96534711
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C19H21F2NO3S/c1-3-14-4-8-16(9-5-14)13(2)22-18(23)17-10-6-15(7-11-17)12-26(24,25)19(20)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyKXXKCDDZGJEWCM-ZDUSSCGKSA-N
XLogP3.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
N-[(2S)-1-aminopropan-2-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 120508261
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (CID 96534711) is 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is KXXKCDDZGJEWCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-3-14-4-8-16(9-5-14)13(2)22-18(23)17-10-6-15(7-11-17)12-26(24,25)19(20)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 96534711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).