N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide

C10H7BrClNOS2 — CID 32775594

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1ccc(Cl)s1
InChIInChI=1S/C10H7BrClNOS2/c11-8-3-1-6(15-8)5-13-10(14)7-2-4-9(12)16-7/h1-4H,5H2,(H,13,14)
InChIKeyAJJVYOITZUUPPN-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.16
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 32775594) has the molecular formula C10H7BrClNOS2 and a molecular weight of 336.66 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
PubChem CID32775594
Molecular FormulaC10H7BrClNOS2
Molecular Weight336.66 g/mol
Exact Mass334.88
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1ccc(Cl)s1
InChIInChI=1S/C10H7BrClNOS2/c11-8-3-1-6(15-8)5-13-10(14)7-2-4-9(12)16-7/h1-4H,5H2,(H,13,14)
InChIKeyAJJVYOITZUUPPN-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103401936
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide (CID 32775594) is N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide is O=C(NCc1ccc(Br)s1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is AJJVYOITZUUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS2/c11-8-3-1-6(15-8)5-13-10(14)7-2-4-9(12)16-7/h1-4H,5H2,(H,13,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 336.66 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 32775594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).