2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide

C17H13BrN2O2S2 — CID 55572335

IUPAC2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(Br)s2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2O2S2/c1-9-13(10-5-3-2-4-6-10)14(15(19)21)17(23-9)20-16(22)11-7-8-12(18)24-11/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyPHEUKWOQZLGJEN-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.90
Rot. Bonds4

About 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide

2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide (PubChem CID 55572335) has the molecular formula C17H13BrN2O2S2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
PubChem CID55572335
Molecular FormulaC17H13BrN2O2S2
Molecular Weight421.34 g/mol
Exact Mass419.96
IUPAC Name2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(Br)s2)c(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C17H13BrN2O2S2/c1-9-13(10-5-3-2-4-6-10)14(15(19)21)17(23-9)20-16(22)11-7-8-12(18)24-11/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyPHEUKWOQZLGJEN-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide (CID 55572335) is 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide is Cc1sc(NC(=O)c2ccc(Br)s2)c(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide?
The InChIKey is PHEUKWOQZLGJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S2/c1-9-13(10-5-3-2-4-6-10)14(15(19)21)17(23-9)20-16(22)11-7-8-12(18)24-11/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide?
2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide has a molecular weight of 421.34 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide is sourced from PubChem (CID 55572335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).