3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide

C15H18BrN3OS — CID 103526615

IUPAC3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)Cc2cccc(Br)c2)cc1N
InChIInChI=1S/C15H18BrN3OS/c1-3-18-15(20)14-12(17)8-13(21-14)19(2)9-10-5-4-6-11(16)7-10/h4-8H,3,9,17H2,1-2H3,(H,18,20)
InChIKeyINWBIOHQYGHMMU-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.48
Rot. Bonds5

About 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide

3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide (PubChem CID 103526615) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
PubChem CID103526615
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)Cc2cccc(Br)c2)cc1N
InChIInChI=1S/C15H18BrN3OS/c1-3-18-15(20)14-12(17)8-13(21-14)19(2)9-10-5-4-6-11(16)7-10/h4-8H,3,9,17H2,1-2H3,(H,18,20)
InChIKeyINWBIOHQYGHMMU-UHFFFAOYSA-N
XLogP3.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663116

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide (CID 103526615) is 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(N(C)Cc2cccc(Br)c2)cc1N.
What is the InChIKey of 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide?
The InChIKey is INWBIOHQYGHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-3-18-15(20)14-12(17)8-13(21-14)19(2)9-10-5-4-6-11(16)7-10/h4-8H,3,9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide?
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide has a molecular weight of 368.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103526615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).