N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide

C17H17N3OS — CID 4190565

IUPACN-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NN=Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C17H17N3OS/c1-11(2)16-7-12(10-22-16)17(21)20-19-9-13-8-18-15-6-4-3-5-14(13)15/h3-11,18H,1-2H3,(H,20,21)
InChIKeyQODZOHYFHQVKIZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.12
Rot. Bonds4

About N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide

N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 4190565) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
PubChem CID4190565
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NN=Cc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C17H17N3OS/c1-11(2)16-7-12(10-22-16)17(21)20-19-9-13-8-18-15-6-4-3-5-14(13)15/h3-11,18H,1-2H3,(H,20,21)
InChIKeyQODZOHYFHQVKIZ-UHFFFAOYSA-N
XLogP4.12
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136823985
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide (CID 4190565) is N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)NN=Cc2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is QODZOHYFHQVKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11(2)16-7-12(10-22-16)17(21)20-19-9-13-8-18-15-6-4-3-5-14(13)15/h3-11,18H,1-2H3,(H,20,21).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide?
N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 4190565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).