N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C21H23N3O4S — CID 86266472

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)cc1C1CC1
InChIInChI=1S/C21H23N3O4S/c1-23-20(15-4-5-15)12-17(22-23)13-24(14-18-3-2-9-27-18)29(25,26)19-6-7-21-16(11-19)8-10-28-21/h2-3,6-7,9,11-12,15H,4-5,8,10,13-14H2,1H3
InChIKeyHDQKXBXHVJWURR-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.22
Rot. Bonds7

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 86266472) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID86266472
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)cc1C1CC1
InChIInChI=1S/C21H23N3O4S/c1-23-20(15-4-5-15)12-17(22-23)13-24(14-18-3-2-9-27-18)29(25,26)19-6-7-21-16(11-19)8-10-28-21/h2-3,6-7,9,11-12,15H,4-5,8,10,13-14H2,1H3
InChIKeyHDQKXBXHVJWURR-UHFFFAOYSA-N
XLogP3.22
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 86266472) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HDQKXBXHVJWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-23-20(15-4-5-15)12-17(22-23)13-24(14-18-3-2-9-27-18)29(25,26)19-6-7-21-16(11-19)8-10-28-21/h2-3,6-7,9,11-12,15H,4-5,8,10,13-14H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 86266472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).