2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide

C14H15BrN2OS — CID 61109461

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1N
InChIInChI=1S/C14H15BrN2OS/c1-9-4-3-5-12(13(9)16)14(18)17(2)7-11-6-10(15)8-19-11/h3-6,8H,7,16H2,1-2H3
InChIKeyMFWSYUPPYKEYSW-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.67
Rot. Bonds3

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide (PubChem CID 61109461) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
PubChem CID61109461
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1N
InChIInChI=1S/C14H15BrN2OS/c1-9-4-3-5-12(13(9)16)14(18)17(2)7-11-6-10(15)8-19-11/h3-6,8H,7,16H2,1-2H3
InChIKeyMFWSYUPPYKEYSW-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 55780843
5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060233
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methylphenyl)propan-1-one
CID 62629185
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
5-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 63116787
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 47222468
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide (CID 61109461) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1N.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide?
The InChIKey is MFWSYUPPYKEYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-4-3-5-12(13(9)16)14(18)17(2)7-11-6-10(15)8-19-11/h3-6,8H,7,16H2,1-2H3.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 61109461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).