N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide

C16H17N3O2S — CID 832654

IUPACN-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1
InChIInChI=1S/C16H17N3O2S/c1-3-15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-9-4-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDIQGPBZLVWDGJV-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.17
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide

N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 832654) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID832654
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1
InChIInChI=1S/C16H17N3O2S/c1-3-15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-9-4-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDIQGPBZLVWDGJV-UHFFFAOYSA-N
XLogP3.17
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924
N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide (CID 832654) is N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)s2)cc1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is DIQGPBZLVWDGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-15(20)18-13-7-5-12(6-8-13)16(21)19-17-10-14-9-4-11(2)22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 315.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 832654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).