2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide

C15H14BrNO3S — CID 107020427

IUPAC2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(S)ccc2Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-19-9-3-6-14(20-2)13(7-9)17-15(18)11-8-10(21)4-5-12(11)16/h3-8,21H,1-2H3,(H,17,18)
InChIKeyDRTAYXDMFZQOKK-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide

2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide (PubChem CID 107020427) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
PubChem CID107020427
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(S)ccc2Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-19-9-3-6-14(20-2)13(7-9)17-15(18)11-8-10(21)4-5-12(11)16/h3-8,21H,1-2H3,(H,17,18)
InChIKeyDRTAYXDMFZQOKK-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.01
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

2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide (CID 107020427) is 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide is COc1ccc(OC)c(NC(=O)c2cc(S)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide?
The InChIKey is DRTAYXDMFZQOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-19-9-3-6-14(20-2)13(7-9)17-15(18)11-8-10(21)4-5-12(11)16/h3-8,21H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide?
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide has a molecular weight of 368.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).