4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide

C15H19N3OS — CID 66385780

IUPAC4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NCc2sccc2N)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-3-17-15(19)11-4-5-13(10(2)8-11)18-9-14-12(16)6-7-20-14/h4-8,18H,3,9,16H2,1-2H3,(H,17,19)
InChIKeyACRCQUNYTRVAEJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.00
Rot. Bonds5

About 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide

4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide (PubChem CID 66385780) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
PubChem CID66385780
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NCc2sccc2N)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-3-17-15(19)11-4-5-13(10(2)8-11)18-9-14-12(16)6-7-20-14/h4-8,18H,3,9,16H2,1-2H3,(H,17,19)
InChIKeyACRCQUNYTRVAEJ-UHFFFAOYSA-N
XLogP3.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 66385538
4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 113298001
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
4-[(4-cyanothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 79612284
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 63360977
3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 106007399
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
methyl 4-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 115380055
2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787362

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide (CID 66385780) is 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NCc2sccc2N)c(C)c1.
What is the InChIKey of 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide?
The InChIKey is ACRCQUNYTRVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-17-15(19)11-4-5-13(10(2)8-11)18-9-14-12(16)6-7-20-14/h4-8,18H,3,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide?
4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 66385780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).