N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C19H22F2N2O6S — CID 55760837

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S/c1-12-17(30(25,26)23-7-3-4-8-23)10-16(28-12)18(24)22-11-13-5-6-14(27-2)15(9-13)29-19(20)21/h5-6,9-10,19H,3-4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyJEPSVQMPDYAFKX-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.91
Rot. Bonds8

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55760837) has the molecular formula C19H22F2N2O6S and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55760837
Molecular FormulaC19H22F2N2O6S
Molecular Weight444.46 g/mol
Exact Mass444.12
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S/c1-12-17(30(25,26)23-7-3-4-8-23)10-16(28-12)18(24)22-11-13-5-6-14(27-2)15(9-13)29-19(20)21/h5-6,9-10,19H,3-4,7-8,11H2,1-2H3,(H,22,24)
InChIKeyJEPSVQMPDYAFKX-UHFFFAOYSA-N
XLogP2.91
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 126785335
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955734
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline
CID 24674203
N'-(4-chloro-2-methoxybenzoyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbohydrazide
CID 55792132

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55760837) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is JEPSVQMPDYAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O6S/c1-12-17(30(25,26)23-7-3-4-8-23)10-16(28-12)18(24)22-11-13-5-6-14(27-2)15(9-13)29-19(20)21/h5-6,9-10,19H,3-4,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55760837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).