3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide

C14H16N2OS — CID 43527192

IUPAC3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H16N2OS/c1-10-12(6-3-7-13(10)15)14(17)16(2)9-11-5-4-8-18-11/h3-8H,9,15H2,1-2H3
InChIKeyJHTZYSRSOGBKQR-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.91
Rot. Bonds3

About 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide

3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 43527192) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID43527192
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H16N2OS/c1-10-12(6-3-7-13(10)15)14(17)16(2)9-11-5-4-8-18-11/h3-8H,9,15H2,1-2H3
InChIKeyJHTZYSRSOGBKQR-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.91
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-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
2-(3-amino-2-methylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79143453
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
3-amino-N-(furan-3-ylmethyl)-N,2-dimethylbenzamide
CID 61421960
3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide (CID 43527192) is 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide is Cc1c(N)cccc1C(=O)N(C)Cc1cccs1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JHTZYSRSOGBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-12(6-3-7-13(10)15)14(17)16(2)9-11-5-4-8-18-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 260.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 43527192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).