1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C13H16F2N2O2S2 — CID 75436405

IUPAC1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1sccc1SC(F)F
InChIInChI=1S/C13H16F2N2O2S2/c1-16(2)11(18)8-4-3-6-17(8)12(19)10-9(5-7-20-10)21-13(14)15/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyCDBBRLDKLSGXGW-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 75436405) has the molecular formula C13H16F2N2O2S2 and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID75436405
Molecular FormulaC13H16F2N2O2S2
Molecular Weight334.41 g/mol
Exact Mass334.06
IUPAC Name1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1sccc1SC(F)F
InChIInChI=1S/C13H16F2N2O2S2/c1-16(2)11(18)8-4-3-6-17(8)12(19)10-9(5-7-20-10)21-13(14)15/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyCDBBRLDKLSGXGW-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]thiophene-2-carboxamide
CID 44560255
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
CID 3245898
N-(1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl)thiophene-2-carboxamide
CID 662714
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
[3-Methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
CID 2896965
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-thiophenecarboxamide
CID 2962137
[4-(Propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
CID 764856
N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 3235944
(2S)-N-(2-methylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2536164
(2S)-N-methyl-1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 8008530
1-[4-(3-Ethylthiophene-2-carbonyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 51099293

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 75436405) is 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1sccc1SC(F)F.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CDBBRLDKLSGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S2/c1-16(2)11(18)8-4-3-6-17(8)12(19)10-9(5-7-20-10)21-13(14)15/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75436405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).