4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide

C15H15Br2NOS — CID 80536486

IUPAC4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS/c1-9-5-3-4-6-11(9)7-10(2)18-15(19)13-8-12(16)14(17)20-13/h3-6,8,10H,7H2,1-2H3,(H,18,19)
InChIKeyIDAVIKZHNTXKKW-UHFFFAOYSA-N
MW417.17 g/mol
LogP4.94
Rot. Bonds4

About 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide

4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 80536486) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
PubChem CID80536486
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS/c1-9-5-3-4-6-11(9)7-10(2)18-15(19)13-8-12(16)14(17)20-13/h3-6,8,10H,7H2,1-2H3,(H,18,19)
InChIKeyIDAVIKZHNTXKKW-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
4,5-dibromo-N-(6-methylheptan-2-yl)thiophene-2-carboxamide
CID 71627844
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide (CID 80536486) is 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide is Cc1ccccc1CC(C)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is IDAVIKZHNTXKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-9-5-3-4-6-11(9)7-10(2)18-15(19)13-8-12(16)14(17)20-13/h3-6,8,10H,7H2,1-2H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 80536486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).