3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide

C17H14BrNOS2 — CID 7995527

IUPAC3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14BrNOS2/c18-14-5-1-4-13(10-14)17(20)19(11-15-6-2-8-21-15)12-16-7-3-9-22-16/h1-10H,11-12H2
InChIKeyQVWWTFMUBNKWMT-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.41
Rot. Bonds5

About 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide

3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 7995527) has the molecular formula C17H14BrNOS2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID7995527
Molecular FormulaC17H14BrNOS2
Molecular Weight392.34 g/mol
Exact Mass390.97
IUPAC Name3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14BrNOS2/c18-14-5-1-4-13(10-14)17(20)19(11-15-6-2-8-21-15)12-16-7-3-9-22-16/h1-10H,11-12H2
InChIKeyQVWWTFMUBNKWMT-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5873782
5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 1474474
N-(3-bromobenzyl)-2-thien-2-ylacetamide
CID 6618871
N-[(2-bromophenyl)methyl]-2-thiophenecarboxamide
CID 1246750
3-bromo-N-(4-fluorobenzyl)-N-(prop-2-en-1-yl)-benzo[b]thiophene-2-carboxamide
CID 56599735
4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 16012986
3-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-fluorobenzamide
CID 42961698
4-bromo-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 49717134
Thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690079
[(S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidin-3-yl](5-chloro-2-thienyl)methanone
CID 99986131
2-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 895949

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 7995527) is 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide is O=C(c1cccc(Br)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is QVWWTFMUBNKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS2/c18-14-5-1-4-13(10-14)17(20)19(11-15-6-2-8-21-15)12-16-7-3-9-22-16/h1-10H,11-12H2.
What are the key properties of 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 392.34 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 7995527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).