N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

C25H24N2O5 — CID 41138513

IUPACN-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H24N2O5/c1-16-6-7-18(14-19(16)26-24(28)22-5-3-11-30-22)25(29)27-10-2-4-20(27)17-8-9-21-23(15-17)32-13-12-31-21/h3,5-9,11,14-15,20H,2,4,10,12-13H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyFWBDJRCQZWXSME-FQEVSTJZSA-N
MW432.48 g/mol
LogP4.59
Rot. Bonds4

About N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 41138513) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID41138513
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H24N2O5/c1-16-6-7-18(14-19(16)26-24(28)22-5-3-11-30-22)25(29)27-10-2-4-20(27)17-8-9-21-23(15-17)32-13-12-31-21/h3,5-9,11,14-15,20H,2,4,10,12-13H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyFWBDJRCQZWXSME-FQEVSTJZSA-N
XLogP4.59
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55550875
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 41083360
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18130250
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
N-[3-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 41102806
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 9320558
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
CID 119469960
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 30035788
(3,5-dichlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491178
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820558

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (CID 41138513) is N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is FWBDJRCQZWXSME-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-16-6-7-18(14-19(16)26-24(28)22-5-3-11-30-22)25(29)27-10-2-4-20(27)17-8-9-21-23(15-17)32-13-12-31-21/h3,5-9,11,14-15,20H,2,4,10,12-13H2,1H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 41138513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).