N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide

C12H10BrNOS2 — CID 107580400

IUPACN-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cc(S)cs2)c1
InChIInChI=1S/C12H10BrNOS2/c1-7-2-8(13)4-9(3-7)14-12(15)11-5-10(16)6-17-11/h2-6,16H,1H3,(H,14,15)
InChIKeyGTLWHQAHDUKWFV-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.36
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide

N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107580400) has the molecular formula C12H10BrNOS2 and a molecular weight of 328.26 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107580400
Molecular FormulaC12H10BrNOS2
Molecular Weight328.26 g/mol
Exact Mass326.94
IUPAC NameN-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cc(S)cs2)c1
InChIInChI=1S/C12H10BrNOS2/c1-7-2-8(13)4-9(3-7)14-12(15)11-5-10(16)6-17-11/h2-6,16H,1H3,(H,14,15)
InChIKeyGTLWHQAHDUKWFV-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
CID 104938594
N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107604210
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
CID 107020171
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide (CID 107580400) is N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2cc(S)cs2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is GTLWHQAHDUKWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS2/c1-7-2-8(13)4-9(3-7)14-12(15)11-5-10(16)6-17-11/h2-6,16H,1H3,(H,14,15).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide?
N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 328.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107580400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).