3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide

C24H28N2O5S — CID 94069364

IUPAC3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc21
InChIInChI=1S/C24H28N2O5S/c1-25-22-11-10-20(14-21(22)23(24(25)27)17-6-2-3-7-17)32(28,29)26(15-18-8-4-12-30-18)16-19-9-5-13-31-19/h4,8,10-12,14,19H,2-3,5-7,9,13,15-16H2,1H3/t19-/m1/s1
InChIKeyUXHFVQUJRBNZBJ-LJQANCHMSA-N
MW456.56 g/mol
LogP3.95
Rot. Bonds6

About 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide

3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide (PubChem CID 94069364) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
PubChem CID94069364
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc21
InChIInChI=1S/C24H28N2O5S/c1-25-22-11-10-20(14-21(22)23(24(25)27)17-6-2-3-7-17)32(28,29)26(15-18-8-4-12-30-18)16-19-9-5-13-31-19/h4,8,10-12,14,19H,2-3,5-7,9,13,15-16H2,1H3/t19-/m1/s1
InChIKeyUXHFVQUJRBNZBJ-LJQANCHMSA-N
XLogP3.95
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 5224121
4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3192388
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
4-chloro-N-(furan-2-ylmethyl)-3-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42664623
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 6618527
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 92519037
N-(furan-2-ylmethyl)-1,2,5-trimethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 50792013
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 4689797
2-[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4648948
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 39965123
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide (CID 94069364) is 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide is CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc21.
What is the InChIKey of 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide?
The InChIKey is UXHFVQUJRBNZBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-25-22-11-10-20(14-21(22)23(24(25)27)17-6-2-3-7-17)32(28,29)26(15-18-8-4-12-30-18)16-19-9-5-13-31-19/h4,8,10-12,14,19H,2-3,5-7,9,13,15-16H2,1H3/t19-/m1/s1.
What are the key properties of 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide?
3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide has a molecular weight of 456.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide is sourced from PubChem (CID 94069364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).