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

C18H27FN2O3S — CID 113068164

IUPACN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C18H27FN2O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-20-18(22)14-15-8-6-7-11-17(15)19/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H,20,22)
InChIKeyDLODVXDXZZKCRX-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.47
Rot. Bonds7

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

N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113068164) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113068164
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC NameN-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C18H27FN2O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-20-18(22)14-15-8-6-7-11-17(15)19/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H,20,22)
InChIKeyDLODVXDXZZKCRX-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]pentanamide
CID 113068122

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide (CID 113068164) is N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1ccccc1F)C1CCCCCC1.
What is the InChIKey of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is DLODVXDXZZKCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-20-18(22)14-15-8-6-7-11-17(15)19/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H,20,22).
What are the key properties of N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113068164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).