2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide

C20H21N3O4S2 — CID 1140848

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-19(13-28-20-22-17-7-3-4-8-18(17)27-20)21-14-9-11-16(12-10-14)29(25,26)23-15-5-1-2-6-15/h3-4,7-12,15,23H,1-2,5-6,13H2,(H,21,24)
InChIKeyLMPBNQCTUWJCPO-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.78
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide (PubChem CID 1140848) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide
PubChem CID1140848
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H21N3O4S2/c24-19(13-28-20-22-17-7-3-4-8-18(17)27-20)21-14-9-11-16(12-10-14)29(25,26)23-15-5-1-2-6-15/h3-4,7-12,15,23H,1-2,5-6,13H2,(H,21,24)
InChIKeyLMPBNQCTUWJCPO-UHFFFAOYSA-N
XLogP3.78
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide (CID 1140848) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide?
The InChIKey is LMPBNQCTUWJCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c24-19(13-28-20-22-17-7-3-4-8-18(17)27-20)21-14-9-11-16(12-10-14)29(25,26)23-15-5-1-2-6-15/h3-4,7-12,15,23H,1-2,5-6,13H2,(H,21,24).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(cyclopentylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).