N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H23N3O2S — CID 135628582

IUPACN-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2
InChIInChI=1S/C24H23N3O2S/c1-15-19(17-8-2-4-10-20(17)27-15)14-26-24-22(18-9-3-5-11-21(18)30-24)23(28)25-13-16-7-6-12-29-16/h2,4,6-8,10,12,14,27H,3,5,9,11,13H2,1H3,(H,25,28)/b26-14+
InChIKeyJOVXUTFDBDXDTC-VULFUBBASA-N
MW417.53 g/mol
LogP5.69
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 135628582) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID135628582
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2
InChIInChI=1S/C24H23N3O2S/c1-15-19(17-8-2-4-10-20(17)27-15)14-26-24-22(18-9-3-5-11-21(18)30-24)23(28)25-13-16-7-6-12-29-16/h2,4,6-8,10,12,14,27H,3,5,9,11,13H2,1H3,(H,25,28)/b26-14+
InChIKeyJOVXUTFDBDXDTC-VULFUBBASA-N
XLogP5.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 137047378
2-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3686941
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126084248
N-(furan-2-ylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126096773
N-(furan-2-ylmethyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137085712
N-(furan-2-ylmethyl)-2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126087486
2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 21207156
N-(furan-2-ylmethyl)-2-[(4-hydroxy-3-prop-2-enylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137120612
N-(furan-2-ylmethyl)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126097628
ethyl 2-[2-ethoxy-4-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]phenoxy]acetate
CID 126089023
(6R)-6-tert-butyl-2-[(1,2-dimethylindol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126098639
2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126084955

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 135628582) is N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is JOVXUTFDBDXDTC-VULFUBBASA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-19(17-8-2-4-10-20(17)27-15)14-26-24-22(18-9-3-5-11-21(18)30-24)23(28)25-13-16-7-6-12-29-16/h2,4,6-8,10,12,14,27H,3,5,9,11,13H2,1H3,(H,25,28)/b26-14+.
What are the key properties of N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 135628582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).