N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide

C14H19FN2O3S — CID 113065116

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyFJNMJNPOVWOZOF-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.91
Rot. Bonds7

About N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113065116) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113065116
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyFJNMJNPOVWOZOF-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 113065116) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FJNMJNPOVWOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-6-7-13)9-8-16-14(18)10-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113065116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).