3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

C16H20N2OS — CID 61450256

IUPAC3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)18(10-13-6-5-9-20-13)16(19)14-7-4-8-15(17)12(14)3/h4-9,11H,10,17H2,1-3H3
InChIKeyHFIADHKABHJDKA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.69
Rot. Bonds4

About 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61450256) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61450256
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)18(10-13-6-5-9-20-13)16(19)14-7-4-8-15(17)12(14)3/h4-9,11H,10,17H2,1-3H3
InChIKeyHFIADHKABHJDKA-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
CID 61108768
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62174129
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (CID 61450256) is 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is Cc1c(N)cccc1C(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HFIADHKABHJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)18(10-13-6-5-9-20-13)16(19)14-7-4-8-15(17)12(14)3/h4-9,11H,10,17H2,1-3H3.
What are the key properties of 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61450256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).