3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide

C15H17BrN2O4S2 — CID 6621419

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-2-22-12-5-3-11(4-6-12)18-14(19)9-10-17-24(20,21)15-8-7-13(16)23-15/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyWIXCMNPAVVONGA-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.22
Rot. Bonds8

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 6621419) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
PubChem CID6621419
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-2-22-12-5-3-11(4-6-12)18-14(19)9-10-17-24(20,21)15-8-7-13(16)23-15/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyWIXCMNPAVVONGA-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide (CID 6621419) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is WIXCMNPAVVONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-2-22-12-5-3-11(4-6-12)18-14(19)9-10-17-24(20,21)15-8-7-13(16)23-15/h3-8,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 433.35 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 6621419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).