3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

C16H21N3OS — CID 61106292

IUPAC3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H21N3OS/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h5-10H,4,11,17H2,1-3H3
InChIKeyLHZRVRIYWWIQIT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61106292) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61106292
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H21N3OS/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h5-10H,4,11,17H2,1-3H3
InChIKeyLHZRVRIYWWIQIT-UHFFFAOYSA-N
XLogP3.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
N-ethyl-3-(methylsulfonylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78811486
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
N-ethyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-6-carboxamide
CID 102712059
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 47019958

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 61106292) is 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LHZRVRIYWWIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h5-10H,4,11,17H2,1-3H3.
What are the key properties of 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61106292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).