4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide

C18H25N3OS — CID 51086143

IUPAC4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
SMILESCCN(CC)C(CNCc1ccc(C(N)=O)cc1)c1ccsc1
InChIInChI=1S/C18H25N3OS/c1-3-21(4-2)17(16-9-10-23-13-16)12-20-11-14-5-7-15(8-6-14)18(19)22/h5-10,13,17,20H,3-4,11-12H2,1-2H3,(H2,19,22)
InChIKeyPGAUUUXULUFCEF-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.02
Rot. Bonds9

About 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide

4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide (PubChem CID 51086143) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
PubChem CID51086143
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
SMILESCCN(CC)C(CNCc1ccc(C(N)=O)cc1)c1ccsc1
InChIInChI=1S/C18H25N3OS/c1-3-21(4-2)17(16-9-10-23-13-16)12-20-11-14-5-7-15(8-6-14)18(19)22/h5-10,13,17,20H,3-4,11-12H2,1-2H3,(H2,19,22)
InChIKeyPGAUUUXULUFCEF-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
4-[[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111702754
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849739
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide (CID 51086143) is 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide is CCN(CC)C(CNCc1ccc(C(N)=O)cc1)c1ccsc1.
What is the InChIKey of 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide?
The InChIKey is PGAUUUXULUFCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-21(4-2)17(16-9-10-23-13-16)12-20-11-14-5-7-15(8-6-14)18(19)22/h5-10,13,17,20H,3-4,11-12H2,1-2H3,(H2,19,22).
What are the key properties of 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide?
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide has a molecular weight of 331.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide is sourced from PubChem (CID 51086143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).