N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide

C14H17N3OS — CID 66386931

IUPACN-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2sccc2N)cc1C
InChIInChI=1S/C14H17N3OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8,15H2,1-2H3,(H,17,18)
InChIKeyUEXKZYFBQQCRMT-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.21
Rot. Bonds4

About N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide

N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide (PubChem CID 66386931) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
PubChem CID66386931
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2sccc2N)cc1C
InChIInChI=1S/C14H17N3OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8,15H2,1-2H3,(H,17,18)
InChIKeyUEXKZYFBQQCRMT-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 66385780
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
4-[(3-aminothiophen-2-yl)methylamino]benzoic acid
CID 66387122
5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 66385758
methyl 5-[(3-aminothiophen-2-yl)methylamino]-2-fluorobenzoate
CID 66386748
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62758402
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982
N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
CID 43672907
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide (CID 66386931) is N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(NCc2sccc2N)cc1C.
What is the InChIKey of N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is UEXKZYFBQQCRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-7-11(3-4-13(9)17-10(2)18)16-8-14-12(15)5-6-19-14/h3-7,16H,8,15H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide?
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 66386931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).