2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide

C14H16N2OS — CID 62055681

IUPAC2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(N)cc2)s1
InChIInChI=1S/C14H16N2OS/c1-10-2-7-13(18-10)9-16-14(17)8-11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyPCJVOGWKIHZHPY-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 62055681) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID62055681
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(N)cc2)s1
InChIInChI=1S/C14H16N2OS/c1-10-2-7-13(18-10)9-16-14(17)8-11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyPCJVOGWKIHZHPY-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
4-[3-[(5-methylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119180358
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 62055681) is 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc(N)cc2)s1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is PCJVOGWKIHZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-2-7-13(18-10)9-16-14(17)8-11-3-5-12(15)6-4-11/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 62055681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).