2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C22H21BrN2O3S2 — CID 15999950

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S2/c23-19-13-14-20(29-19)30(27,28)25-21(16-8-2-1-3-9-16)22(26)24-18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21,25H,6,10,12H2,(H,24,26)
InChIKeyJWIQPGDEKQVMHC-UHFFFAOYSA-N
MW505.46 g/mol
LogP4.72
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 15999950) has the molecular formula C22H21BrN2O3S2 and a molecular weight of 505.46 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID15999950
Molecular FormulaC22H21BrN2O3S2
Molecular Weight505.46 g/mol
Exact Mass504.02
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S2/c23-19-13-14-20(29-19)30(27,28)25-21(16-8-2-1-3-9-16)22(26)24-18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21,25H,6,10,12H2,(H,24,26)
InChIKeyJWIQPGDEKQVMHC-UHFFFAOYSA-N
XLogP4.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 15999950) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(NC1CCCc2ccccc21)C(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is JWIQPGDEKQVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S2/c23-19-13-14-20(29-19)30(27,28)25-21(16-8-2-1-3-9-16)22(26)24-18-12-6-10-15-7-4-5-11-17(15)18/h1-5,7-9,11,13-14,18,21,25H,6,10,12H2,(H,24,26).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 505.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 15999950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).