3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide

C18H19N3O4S — CID 126788090

IUPAC3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cnn(CCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O4S/c1-14-11-20-21(12-14)9-8-19-18(22)17-15(7-10-25-17)13-26(23,24)16-5-3-2-4-6-16/h2-7,10-12H,8-9,13H2,1H3,(H,19,22)
InChIKeyOTMUGJDPVBZKMZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.19
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 126788090) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID126788090
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cnn(CCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O4S/c1-14-11-20-21(12-14)9-8-19-18(22)17-15(7-10-25-17)13-26(23,24)16-5-3-2-4-6-16/h2-7,10-12H,8-9,13H2,1H3,(H,19,22)
InChIKeyOTMUGJDPVBZKMZ-UHFFFAOYSA-N
XLogP2.19
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide (CID 126788090) is 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide is Cc1cnn(CCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is OTMUGJDPVBZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-14-11-20-21(12-14)9-8-19-18(22)17-15(7-10-25-17)13-26(23,24)16-5-3-2-4-6-16/h2-7,10-12H,8-9,13H2,1H3,(H,19,22).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 126788090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).