4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide

C14H17N3OS — CID 63361091

IUPAC4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cccs2)c1
InChIInChI=1S/C14H17N3OS/c1-17(2)14(18)10-5-6-12(15)13(8-10)16-9-11-4-3-7-19-11/h3-8,16H,9,15H2,1-2H3
InChIKeyWUBGKEUCHWSMPJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.64
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide

4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide (PubChem CID 63361091) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
PubChem CID63361091
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2cccs2)c1
InChIInChI=1S/C14H17N3OS/c1-17(2)14(18)10-5-6-12(15)13(8-10)16-9-11-4-3-7-19-11/h3-8,16H,9,15H2,1-2H3
InChIKeyWUBGKEUCHWSMPJ-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63361104
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 78956358
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide (CID 63361091) is 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(N)c(NCc2cccs2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is WUBGKEUCHWSMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(2)14(18)10-5-6-12(15)13(8-10)16-9-11-4-3-7-19-11/h3-8,16H,9,15H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide?
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 63361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).