4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C11H9Br2NOS2 — CID 4841302

IUPAC4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br2NOS2/c1-14(6-7-3-2-4-16-7)11(15)9-5-8(12)10(13)17-9/h2-5H,6H2,1H3
InChIKeyCZQCSKLQUGKLJO-UHFFFAOYSA-N
MW395.14 g/mol
LogP4.61
Rot. Bonds3

About 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 4841302) has the molecular formula C11H9Br2NOS2 and a molecular weight of 395.14 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID4841302
Molecular FormulaC11H9Br2NOS2
Molecular Weight395.14 g/mol
Exact Mass392.85
IUPAC Name4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br2NOS2/c1-14(6-7-3-2-4-16-7)11(15)9-5-8(12)10(13)17-9/h2-5H,6H2,1H3
InChIKeyCZQCSKLQUGKLJO-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide
CID 2740027
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
(5-Bromothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6465696
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
5-bromo-N-[6-[(5-bromothiophene-2-carbonyl)amino]hexyl]thiophene-2-carboxamide
CID 4989136
(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
CID 44589356
5-bromo-N-[4-[3-[(5-bromothiophene-2-carbonyl)amino]propylamino]butyl]thiophene-2-carboxamide
CID 145951692
Thiophene-2-carboxamide, N-ethyl-N-butyl-
CID 2164665
N,N-diethylthiophene-2-carboxamide
CID 962897
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
(5-Bromothiophen-2-yl)(2-methylpiperidin-1-yl)methanone
CID 42905215

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 4841302) is 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is CZQCSKLQUGKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NOS2/c1-14(6-7-3-2-4-16-7)11(15)9-5-8(12)10(13)17-9/h2-5H,6H2,1H3.
What are the key properties of 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 395.14 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 4841302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).