3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C16H18N2O3S — CID 6911550

IUPAC3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccs2)ccc1OC(C)C
InChIInChI=1S/C16H18N2O3S/c1-11(2)21-14-7-6-12(9-15(14)20-3)16(19)18-17-10-13-5-4-8-22-13/h4-11H,1-3H3,(H,18,19)/b17-10+
InChIKeyCSDMQPDRXYUUNM-LICLKQGHSA-N
MW318.40 g/mol
LogP3.31
Rot. Bonds6

About 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 6911550) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID6911550
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccs2)ccc1OC(C)C
InChIInChI=1S/C16H18N2O3S/c1-11(2)21-14-7-6-12(9-15(14)20-3)16(19)18-17-10-13-5-4-8-22-13/h4-11H,1-3H3,(H,18,19)/b17-10+
InChIKeyCSDMQPDRXYUUNM-LICLKQGHSA-N
XLogP3.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804715
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 9232259
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 8981663
3-methoxy-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9396622
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 6911550) is 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is COc1cc(C(=O)N/N=C/c2cccs2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is CSDMQPDRXYUUNM-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(2)21-14-7-6-12(9-15(14)20-3)16(19)18-17-10-13-5-4-8-22-13/h4-11H,1-3H3,(H,18,19)/b17-10+.
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6911550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).