1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide

C19H22F2N4O5S — CID 25490983

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C19H22F2N4O5S/c1-24-11-13(10-15(24)17(22)26)31(28,29)25-8-6-12(7-9-25)18(27)23-14-4-2-3-5-16(14)30-19(20)21/h2-5,10-12,19H,6-9H2,1H3,(H2,22,26)(H,23,27)
InChIKeyWSLDNUXYGDVFEJ-UHFFFAOYSA-N
MW456.47 g/mol
LogP1.76
Rot. Bonds7

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 25490983) has the molecular formula C19H22F2N4O5S and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID25490983
Molecular FormulaC19H22F2N4O5S
Molecular Weight456.47 g/mol
Exact Mass456.13
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C19H22F2N4O5S/c1-24-11-13(10-15(24)17(22)26)31(28,29)25-8-6-12(7-9-25)18(27)23-14-4-2-3-5-16(14)30-19(20)21/h2-5,10-12,19H,6-9H2,1H3,(H2,22,26)(H,23,27)
InChIKeyWSLDNUXYGDVFEJ-UHFFFAOYSA-N
XLogP1.76
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide (CID 25490983) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC(F)F)CC2)cc1C(N)=O.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WSLDNUXYGDVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O5S/c1-24-11-13(10-15(24)17(22)26)31(28,29)25-8-6-12(7-9-25)18(27)23-14-4-2-3-5-16(14)30-19(20)21/h2-5,10-12,19H,6-9H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(difluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25490983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).