2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide

C17H20BrNOS — CID 135057749

IUPAC2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc(Br)s1)C(C)C
InChIInChI=1S/C17H20BrNOS/c1-11(2)19(12(3)4)17(20)14-8-6-5-7-13(14)15-9-10-16(18)21-15/h5-12H,1-4H3
InChIKeyADGOHVFYXHFRMS-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.44
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide

2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 135057749) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID135057749
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc(Br)s1)C(C)C
InChIInChI=1S/C17H20BrNOS/c1-11(2)19(12(3)4)17(20)14-8-6-5-7-13(14)15-9-10-16(18)21-15/h5-12H,1-4H3
InChIKeyADGOHVFYXHFRMS-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide (CID 135057749) is 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1ccc(Br)s1)C(C)C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is ADGOHVFYXHFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-11(2)19(12(3)4)17(20)14-8-6-5-7-13(14)15-9-10-16(18)21-15/h5-12H,1-4H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide?
2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 366.32 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 135057749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).