N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C14H20F2N2O4S2 — CID 126810670

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C14H20F2N2O4S2/c1-10-4-5-13(23-10)24(21,22)18-6-2-3-11(18)14(20)17(7-8-19)9-12(15)16/h4-5,11-12,19H,2-3,6-9H2,1H3
InChIKeyKYZGULUHPGYRKD-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.30
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 126810670) has the molecular formula C14H20F2N2O4S2 and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID126810670
Molecular FormulaC14H20F2N2O4S2
Molecular Weight382.45 g/mol
Exact Mass382.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C14H20F2N2O4S2/c1-10-4-5-13(23-10)24(21,22)18-6-2-3-11(18)14(20)17(7-8-19)9-12(15)16/h4-5,11-12,19H,2-3,6-9H2,1H3
InChIKeyKYZGULUHPGYRKD-UHFFFAOYSA-N
XLogP1.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 78853287
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167253
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
CID 49062573
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 120655530
3-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propanoic acid
CID 132970865
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807693
N-(2-amino-2-phenylethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 119528962
N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 134001822
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60597282

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 126810670) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N(CCO)CC(F)F)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is KYZGULUHPGYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O4S2/c1-10-4-5-13(23-10)24(21,22)18-6-2-3-11(18)14(20)17(7-8-19)9-12(15)16/h4-5,11-12,19H,2-3,6-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126810670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).