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

C16H20N2OS — CID 80556800

IUPAC2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(C)c2ccc(N)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-11-4-9-14(20-11)10-18-15(19)16(2,3)12-5-7-13(17)8-6-12/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyXEWJUZJVPDNXMZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds4

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

2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 80556800) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID80556800
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(C)c2ccc(N)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-11-4-9-14(20-11)10-18-15(19)16(2,3)12-5-7-13(17)8-6-12/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyXEWJUZJVPDNXMZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 81489224
2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 80556329
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
2-methyl-2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62846936
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
5-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110642
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 80556800) is 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)(C)c2ccc(N)cc2)s1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is XEWJUZJVPDNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-4-9-14(20-11)10-18-15(19)16(2,3)12-5-7-13(17)8-6-12/h4-9H,10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 80556800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).