N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide

C17H19N3O3S2 — CID 86266551

IUPACN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccs2)c2c1CCC2
InChIInChI=1S/C17H19N3O3S2/c1-19-16-7-2-6-14(16)15(18-19)12-20(11-13-5-3-9-23-13)25(21,22)17-8-4-10-24-17/h3-5,8-10H,2,6-7,11-12H2,1H3
InChIKeyDINUSDYJIFVEFO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.95
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 86266551) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID86266551
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccs2)c2c1CCC2
InChIInChI=1S/C17H19N3O3S2/c1-19-16-7-2-6-14(16)15(18-19)12-20(11-13-5-3-9-23-13)25(21,22)17-8-4-10-24-17/h3-5,8-10H,2,6-7,11-12H2,1H3
InChIKeyDINUSDYJIFVEFO-UHFFFAOYSA-N
XLogP2.95
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 86266551) is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide is Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccs2)c2c1CCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DINUSDYJIFVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-19-16-7-2-6-14(16)15(18-19)12-20(11-13-5-3-9-23-13)25(21,22)17-8-4-10-24-17/h3-5,8-10H,2,6-7,11-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86266551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).