3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide

C15H17BrN2O3S2 — CID 156601350

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C15H17BrN2O3S2/c1-10-4-3-5-12(11(10)2)18-14(19)8-9-17-23(20,21)15-7-6-13(16)22-15/h3-7,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyBEDAKAXARGWKQR-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.43
Rot. Bonds6

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 156601350) has the molecular formula C15H17BrN2O3S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID156601350
Molecular FormulaC15H17BrN2O3S2
Molecular Weight417.35 g/mol
Exact Mass415.99
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C15H17BrN2O3S2/c1-10-4-3-5-12(11(10)2)18-14(19)8-9-17-23(20,21)15-7-6-13(16)22-15/h3-7,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyBEDAKAXARGWKQR-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide (CID 156601350) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1C.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is BEDAKAXARGWKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S2/c1-10-4-3-5-12(11(10)2)18-14(19)8-9-17-23(20,21)15-7-6-13(16)22-15/h3-7,17H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 417.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 156601350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).