3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C14H15BrN2OS — CID 107872948

IUPAC3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H15BrN2OS/c1-8-3-4-19-13(8)7-17-14(18)11-5-10(15)6-12(16)9(11)2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyKDFUTLYIGAKJAG-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.64
Rot. Bonds3

About 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 107872948) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID107872948
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H15BrN2OS/c1-8-3-4-19-13(8)7-17-14(18)11-5-10(15)6-12(16)9(11)2/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyKDFUTLYIGAKJAG-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.64
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

5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114011349
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide
CID 78990952
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 107872948) is 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is KDFUTLYIGAKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-8-3-4-19-13(8)7-17-14(18)11-5-10(15)6-12(16)9(11)2/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 339.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 107872948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).