3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide

C16H21N3OS — CID 106007399

IUPAC3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(CC)s2)c(N)c1
InChIInChI=1S/C16H21N3OS/c1-3-12-6-7-13(21-12)10-19-15-8-5-11(9-14(15)17)16(20)18-4-2/h5-9,19H,3-4,10,17H2,1-2H3,(H,18,20)
InChIKeyOUZIVGZJPBRQOF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.25
Rot. Bonds6

About 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide

3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide (PubChem CID 106007399) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
PubChem CID106007399
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(CC)s2)c(N)c1
InChIInChI=1S/C16H21N3OS/c1-3-12-6-7-13(21-12)10-19-15-8-5-11(9-14(15)17)16(20)18-4-2/h5-9,19H,3-4,10,17H2,1-2H3,(H,18,20)
InChIKeyOUZIVGZJPBRQOF-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide (CID 106007399) is 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide is CCNC(=O)c1ccc(NCc2ccc(CC)s2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
The InChIKey is OUZIVGZJPBRQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-12-6-7-13(21-12)10-19-15-8-5-11(9-14(15)17)16(20)18-4-2/h5-9,19H,3-4,10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide?
3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide has a molecular weight of 303.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 106007399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).