2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide

C14H17N3OS — CID 43646268

IUPAC2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)Cc1ccsc1
InChIInChI=1S/C14H17N3OS/c15-13-3-1-11(2-4-13)7-17(9-14(16)18)8-12-5-6-19-10-12/h1-6,10H,7-9,15H2,(H2,16,18)
InChIKeyVJUXOYIKNWHDQF-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.82
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide

2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 43646268) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
PubChem CID43646268
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)Cc1ccsc1
InChIInChI=1S/C14H17N3OS/c15-13-3-1-11(2-4-13)7-17(9-14(16)18)8-12-5-6-19-10-12/h1-6,10H,7-9,15H2,(H2,16,18)
InChIKeyVJUXOYIKNWHDQF-UHFFFAOYSA-N
XLogP1.82
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939182
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide (CID 43646268) is 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide is NC(=O)CN(Cc1ccc(N)cc1)Cc1ccsc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is VJUXOYIKNWHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-13-3-1-11(2-4-13)7-17(9-14(16)18)8-12-5-6-19-10-12/h1-6,10H,7-9,15H2,(H2,16,18).
What are the key properties of 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide?
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 43646268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).