2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide

C14H21BrN2O3S2 — CID 86879616

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
SMILESNC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O3S2/c15-12-6-7-14(21-12)22(19,20)17(10-13(16)18)9-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H2,16,18)
InChIKeyVXWGIDBKXSSAGI-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.96
Rot. Bonds7

About 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide (PubChem CID 86879616) has the molecular formula C14H21BrN2O3S2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
PubChem CID86879616
Molecular FormulaC14H21BrN2O3S2
Molecular Weight409.37 g/mol
Exact Mass408.02
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide
SMILESNC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H21BrN2O3S2/c15-12-6-7-14(21-12)22(19,20)17(10-13(16)18)9-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H2,16,18)
InChIKeyVXWGIDBKXSSAGI-UHFFFAOYSA-N
XLogP2.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide (CID 86879616) is 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide is NC(=O)CN(CCC1CCCCC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
The InChIKey is VXWGIDBKXSSAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S2/c15-12-6-7-14(21-12)22(19,20)17(10-13(16)18)9-8-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H2,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide has a molecular weight of 409.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-(2-cyclohexylethyl)amino]acetamide is sourced from PubChem (CID 86879616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).