2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

C13H14BrN3O2S2 — CID 9299662

IUPAC2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrN3O2S2/c1-17(6-8-2-3-10(14)21-8)7-11(18)16-13-9(12(15)19)4-5-20-13/h2-5H,6-7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyNDQAHJNMBFZRQV-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.74
Rot. Bonds6

About 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 9299662) has the molecular formula C13H14BrN3O2S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
PubChem CID9299662
Molecular FormulaC13H14BrN3O2S2
Molecular Weight388.31 g/mol
Exact Mass386.97
IUPAC Name2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrN3O2S2/c1-17(6-8-2-3-10(14)21-8)7-11(18)16-13-9(12(15)19)4-5-20-13/h2-5H,6-7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyNDQAHJNMBFZRQV-UHFFFAOYSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
2-[3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoylamino]thiophene-3-carboxamide
CID 56549482
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[[2-[methyl(piperidin-4-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 79702062
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (CID 9299662) is 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is NDQAHJNMBFZRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S2/c1-17(6-8-2-3-10(14)21-8)7-11(18)16-13-9(12(15)19)4-5-20-13/h2-5H,6-7H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9299662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).