5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C24H30N2O4S — CID 70985363

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(C(=O)NCCCc2ccccc2)O3)CC1
InChIInChI=1S/C24H30N2O4S/c1-18-11-14-26(15-12-18)31(28,29)21-9-10-22-20(16-21)17-23(30-22)24(27)25-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,23H,5,8,11-15,17H2,1H3,(H,25,27)
InChIKeyHNDWTANUQNKPIP-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.16
Rot. Bonds7

About 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 70985363) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID70985363
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(C(=O)NCCCc2ccccc2)O3)CC1
InChIInChI=1S/C24H30N2O4S/c1-18-11-14-26(15-12-18)31(28,29)21-9-10-22-20(16-21)17-23(30-22)24(27)25-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,23H,5,8,11-15,17H2,1H3,(H,25,27)
InChIKeyHNDWTANUQNKPIP-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537
2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 50794817
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
4-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133159382
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53124781
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
2-(3-methylbutylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65367714
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 70985363) is 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(C(=O)NCCCc2ccccc2)O3)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is HNDWTANUQNKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-18-11-14-26(15-12-18)31(28,29)21-9-10-22-20(16-21)17-23(30-22)24(27)25-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,23H,5,8,11-15,17H2,1H3,(H,25,27).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70985363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).