N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide

C10H8BrNOS3 — CID 107030604

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(S)cs1
InChIInChI=1S/C10H8BrNOS3/c11-9-2-1-7(16-9)4-12-10(13)8-3-6(14)5-15-8/h1-3,5,14H,4H2,(H,12,13)
InChIKeyXDQKPHGOBCEWOV-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.79
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107030604) has the molecular formula C10H8BrNOS3 and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107030604
Molecular FormulaC10H8BrNOS3
Molecular Weight334.29 g/mol
Exact Mass332.90
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cc(S)cs1
InChIInChI=1S/C10H8BrNOS3/c11-9-2-1-7(16-9)4-12-10(13)8-3-6(14)5-15-8/h1-3,5,14H,4H2,(H,12,13)
InChIKeyXDQKPHGOBCEWOV-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028283
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107030604) is N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is O=C(NCc1ccc(Br)s1)c1cc(S)cs1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is XDQKPHGOBCEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS3/c11-9-2-1-7(16-9)4-12-10(13)8-3-6(14)5-15-8/h1-3,5,14H,4H2,(H,12,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 334.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107030604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).