2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C16H21ClN2OS — CID 119723936

IUPAC2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCC(C)N(Cc1cccs1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-13(2)18(12-15-9-6-10-20-15)16(19)11-17-14-7-4-3-5-8-14;/h3-10,13,17H,11-12H2,1-2H3;1H
InChIKeyWTBJQUOQSAAKLF-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.02
Rot. Bonds6

About 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119723936) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119723936
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCC(C)N(Cc1cccs1)C(=O)CNc1ccccc1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-13(2)18(12-15-9-6-10-20-15)16(19)11-17-14-7-4-3-5-8-14;/h3-10,13,17H,11-12H2,1-2H3;1H
InChIKeyWTBJQUOQSAAKLF-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
N-(2-amino-2-oxoethyl)-2-anilino-N-propan-2-ylacetamide;hydrochloride
CID 119684334
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119723936) is 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is CC(C)N(Cc1cccs1)C(=O)CNc1ccccc1.Cl.
What is the InChIKey of 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is WTBJQUOQSAAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-13(2)18(12-15-9-6-10-20-15)16(19)11-17-14-7-4-3-5-8-14;/h3-10,13,17H,11-12H2,1-2H3;1H.
What are the key properties of 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119723936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).