4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide

C16H20N2OS — CID 60966154

IUPAC4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-12-5-7-14(8-6-12)16(19)18-10-9-17-13(2)15-4-3-11-20-15/h3-8,11,13,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyTYLGCIWFASMYDF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide

4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide (PubChem CID 60966154) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide
PubChem CID60966154
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-12-5-7-14(8-6-12)16(19)18-10-9-17-13(2)15-4-3-11-20-15/h3-8,11,13,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyTYLGCIWFASMYDF-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-4-methylbenzamide
CID 60965771
N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
CID 114014543
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[2-(1-cyanopropan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880724
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
methyl 2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]butanoate
CID 79396559
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide (CID 60966154) is 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide is Cc1ccc(C(=O)NCCNC(C)c2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide?
The InChIKey is TYLGCIWFASMYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-5-7-14(8-6-12)16(19)18-10-9-17-13(2)15-4-3-11-20-15/h3-8,11,13,17H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide?
4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]benzamide is sourced from PubChem (CID 60966154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).