2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide

C17H22N2OS — CID 30717585

IUPAC2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccccc1NCC(=O)NCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-8-4-5-9-15(14)18-12-16(20)19-11-13-7-6-10-21-13/h4-10,18H,11-12H2,1-3H3,(H,19,20)
InChIKeyLPDRISPGMPEQQQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 30717585) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID30717585
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccccc1NCC(=O)NCc1cccs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-8-4-5-9-15(14)18-12-16(20)19-11-13-7-6-10-21-13/h4-10,18H,11-12H2,1-3H3,(H,19,20)
InChIKeyLPDRISPGMPEQQQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-(4-bromo-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33216280
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 30717585) is 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide is CC(C)(C)c1ccccc1NCC(=O)NCc1cccs1.
What is the InChIKey of 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LPDRISPGMPEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)14-8-4-5-9-15(14)18-12-16(20)19-11-13-7-6-10-21-13/h4-10,18H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 30717585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).