2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide

C15H17BrN2OS — CID 80556329

IUPAC2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Br)cs1)c1ccc(N)cc1
InChIInChI=1S/C15H17BrN2OS/c1-15(2,10-3-5-12(17)6-4-10)14(19)18-8-13-7-11(16)9-20-13/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyDNKGOUUGGWABKH-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide

2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide (PubChem CID 80556329) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
PubChem CID80556329
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1cc(Br)cs1)c1ccc(N)cc1
InChIInChI=1S/C15H17BrN2OS/c1-15(2,10-3-5-12(17)6-4-10)14(19)18-8-13-7-11(16)9-20-13/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyDNKGOUUGGWABKH-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.69
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

2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
4-amino-N-[2-(4-bromothiophen-2-yl)ethyl]benzamide
CID 115161035
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-[4-[(4-bromothiophen-2-yl)methyl]phenyl]-2-methylpropanoic acid
CID 84612021
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide (CID 80556329) is 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide is CC(C)(C(=O)NCc1cc(Br)cs1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The InChIKey is DNKGOUUGGWABKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-15(2,10-3-5-12(17)6-4-10)14(19)18-8-13-7-11(16)9-20-13/h3-7,9H,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide?
2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide has a molecular weight of 353.29 g/mol, XLogP of 3.69, 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-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 80556329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).