2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C15H17BrN2O3S2 — CID 4785899

IUPAC2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O3S2/c1-2-18(11-15(19)17-10-13-6-4-8-22-13)23(20,21)14-7-3-5-12(16)9-14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyMQGABPLKHMCTAI-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.84
Rot. Bonds7

About 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4785899) has the molecular formula C15H17BrN2O3S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4785899
Molecular FormulaC15H17BrN2O3S2
Molecular Weight417.35 g/mol
Exact Mass415.99
IUPAC Name2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O3S2/c1-2-18(11-15(19)17-10-13-6-4-8-22-13)23(20,21)14-7-3-5-12(16)9-14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyMQGABPLKHMCTAI-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4785899) is 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MQGABPLKHMCTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S2/c1-2-18(11-15(19)17-10-13-6-4-8-22-13)23(20,21)14-7-3-5-12(16)9-14/h3-9H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 417.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4785899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).