5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide

C14H16BrN3OS — CID 61139225

IUPAC5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C14H16BrN3OS/c1-18(2)12-5-3-9(16)7-11(12)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyLCMPRWFCZQEJCM-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide

5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide (PubChem CID 61139225) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide
PubChem CID61139225
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C14H16BrN3OS/c1-18(2)12-5-3-9(16)7-11(12)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyLCMPRWFCZQEJCM-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
5-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(dimethylamino)-N-methylbenzamide
CID 61109086
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
5-amino-N-[(5-bromothiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 63118425
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide (CID 61139225) is 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide?
The InChIKey is LCMPRWFCZQEJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-18(2)12-5-3-9(16)7-11(12)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide?
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide has a molecular weight of 354.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 61139225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).