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

C16H17BrN2O3S2 — CID 4983328

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCc2ccccc21
InChIInChI=1S/C16H17BrN2O3S2/c17-14-8-9-16(23-14)24(21,22)18-10-15(20)19-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13,18H,3,5,7,10H2,(H,19,20)
InChIKeyVOYMPRYJCBFSPV-UHFFFAOYSA-N
MW429.36 g/mol
LogP2.98
Rot. Bonds5

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

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4983328) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4983328
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCc2ccccc21
InChIInChI=1S/C16H17BrN2O3S2/c17-14-8-9-16(23-14)24(21,22)18-10-15(20)19-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13,18H,3,5,7,10H2,(H,19,20)
InChIKeyVOYMPRYJCBFSPV-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4983328) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is VOYMPRYJCBFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c17-14-8-9-16(23-14)24(21,22)18-10-15(20)19-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13,18H,3,5,7,10H2,(H,19,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 429.36 g/mol, XLogP of 2.98, 5 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]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4983328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).