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

C17H20N2OS — CID 71624696

IUPACN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1/N=C/c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-4-12(2)19-17(20)15-7-5-6-8-16(15)18-11-14-10-9-13(3)21-14/h5-12H,4H2,1-3H3,(H,19,20)/b18-11+
InChIKeyKUAWQXXRQBGUSP-WOJGMQOQSA-N
MW300.43 g/mol
LogP4.34
Rot. Bonds5

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

N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 71624696) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID71624696
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1/N=C/c1ccc(C)s1
InChIInChI=1S/C17H20N2OS/c1-4-12(2)19-17(20)15-7-5-6-8-16(15)18-11-14-10-9-13(3)21-14/h5-12H,4H2,1-3H3,(H,19,20)/b18-11+
InChIKeyKUAWQXXRQBGUSP-WOJGMQOQSA-N
XLogP4.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681119
N-butan-2-yl-2-iodobenzamide
CID 3344108
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 71624696) is N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is CCC(C)NC(=O)c1ccccc1/N=C/c1ccc(C)s1.
What is the InChIKey of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is KUAWQXXRQBGUSP-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-12(2)19-17(20)15-7-5-6-8-16(15)18-11-14-10-9-13(3)21-14/h5-12H,4H2,1-3H3,(H,19,20)/b18-11+.
What are the key properties of N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide?
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 300.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 71624696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).