3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide

C15H19N3OS — CID 82990216

IUPAC3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
SMILESCC(Nc1ccc(C(=O)N(C)C)cc1N)c1ccsc1
InChIInChI=1S/C15H19N3OS/c1-10(12-6-7-20-9-12)17-14-5-4-11(8-13(14)16)15(19)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyXZGZNTLSFHCFGN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide

3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide (PubChem CID 82990216) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
PubChem CID82990216
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide
SMILESCC(Nc1ccc(C(=O)N(C)C)cc1N)c1ccsc1
InChIInChI=1S/C15H19N3OS/c1-10(12-6-7-20-9-12)17-14-5-4-11(8-13(14)16)15(19)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyXZGZNTLSFHCFGN-UHFFFAOYSA-N
XLogP3.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.21
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

N,N-dimethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032863
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
3-chloro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 63087825
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
3-amino-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N,N-dimethylbenzamide
CID 106155281
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide (CID 82990216) is 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide is CC(Nc1ccc(C(=O)N(C)C)cc1N)c1ccsc1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide?
The InChIKey is XZGZNTLSFHCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(12-6-7-20-9-12)17-14-5-4-11(8-13(14)16)15(19)18(2)3/h4-10,17H,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide?
3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(1-thiophen-3-ylethylamino)benzamide is sourced from PubChem (CID 82990216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).