N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide

C20H24F2N2OS — CID 152974641

IUPACN-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCSCC2)Cc2c(F)cccc2F)=C1
InChIInChI=1S/C20H24F2N2OS/c1-14-11-16(12-23-14)20(25)24(8-5-15-6-9-26-10-7-15)13-17-18(21)3-2-4-19(17)22/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyUTEAEUZFJIPVAX-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.23
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide (PubChem CID 152974641) has the molecular formula C20H24F2N2OS and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide
PubChem CID152974641
Molecular FormulaC20H24F2N2OS
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide
SMILESCC1=NCC(C(=O)N(CCC2CCSCC2)Cc2c(F)cccc2F)=C1
InChIInChI=1S/C20H24F2N2OS/c1-14-11-16(12-23-14)20(25)24(8-5-15-6-9-26-10-7-15)13-17-18(21)3-2-4-19(17)22/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyUTEAEUZFJIPVAX-UHFFFAOYSA-N
XLogP4.23
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
CID 159098416
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
N-[(3-aminophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2,3-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 159988382
N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119314240
(Z)-2-amino-N-[(2,6-difluorophenyl)methyl]-5,5,5-trifluoro-4-imino-N-[2-(oxolan-3-yl)ethyl]pent-2-enamide
CID 162567104
N-methyl-N-[2-(thian-4-yl)ethyl]hydroxylamine
CID 105436314
2-(2,6-difluorophenyl)-1-(thiolan-2-yl)ethanone
CID 114931412
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide (CID 152974641) is N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide is CC1=NCC(C(=O)N(CCC2CCSCC2)Cc2c(F)cccc2F)=C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
The InChIKey is UTEAEUZFJIPVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2OS/c1-14-11-16(12-23-14)20(25)24(8-5-15-6-9-26-10-7-15)13-17-18(21)3-2-4-19(17)22/h2-4,11,15H,5-10,12-13H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(thian-4-yl)ethyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 152974641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).