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

C14H19FN2O3S — CID 113148937

IUPAC2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-4-2-3-5-13)10-14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyMDNJYQQGMKXZFI-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.97
Rot. Bonds5

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

2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 113148937) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID113148937
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-4-2-3-5-13)10-14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyMDNJYQQGMKXZFI-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
methyl 4-[[2-[cyclopentyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113148971
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[cyclohexyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967374

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide (CID 113148937) is 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is MDNJYQQGMKXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17(13-4-2-3-5-13)10-14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide?
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113148937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).