N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide

C14H18F2N2OS — CID 63139535

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(SC(F)F)cc2)CCNC1
InChIInChI=1S/C14H18F2N2OS/c1-2-14(7-8-17-9-14)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyCUFDCTUKEPSXKX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139535) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139535
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(SC(F)F)cc2)CCNC1
InChIInChI=1S/C14H18F2N2OS/c1-2-14(7-8-17-9-14)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyCUFDCTUKEPSXKX-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
CID 63141450
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]oxane-4-carboxamide
CID 115439018
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide (CID 63139535) is N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(SC(F)F)cc2)CCNC1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is CUFDCTUKEPSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-2-14(7-8-17-9-14)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).