2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C19H27N3O6S3 — CID 24816695

IUPAC2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O6S3/c1-4-21(5-2)31(26,27)15-7-8-17-16(11-15)20-19(28-17)29-12-18(23)22(6-3)14-9-10-30(24,25)13-14/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3
InChIKeyYDBIMJHLOYVWHA-UHFFFAOYSA-N
MW489.64 g/mol
LogP1.99
Rot. Bonds9

About 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 24816695) has the molecular formula C19H27N3O6S3 and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID24816695
Molecular FormulaC19H27N3O6S3
Molecular Weight489.64 g/mol
Exact Mass489.11
IUPAC Name2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O6S3/c1-4-21(5-2)31(26,27)15-7-8-17-16(11-15)20-19(28-17)29-12-18(23)22(6-3)14-9-10-30(24,25)13-14/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3
InChIKeyYDBIMJHLOYVWHA-UHFFFAOYSA-N
XLogP1.99
TPSA117.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
CID 2339850
2-Ethylsulfanyl-5-morpholin-4-ylsulfonyl-1,3-benzoxazole
CID 2494474
2-{[2-(Ethylsulfonyl)ethyl]thio}-1,3-benzoxazole
CID 893747
2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 1094264
2-[4-(4-Cyclohexylpiperazin-1-yl)butylsulfanyl]-1,3-benzoxazole
CID 44457197
2-(1,3-Benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 597008
benzoxazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
CID 108595
Acetamide,2-(2-benzoxazolylthio)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)-
CID 653076
2-(1,3-benzoxazol-2-ylthio)-N-[3-(methylthio)phenyl]acetamide
CID 708756
2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2078633
N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 2114896
Ethyl 2-(5-{[(2-methoxyphenyl)amino]sulfonyl}benzoxazol-2-ylthio)acetate
CID 2338636

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 24816695) is 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is YDBIMJHLOYVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S3/c1-4-21(5-2)31(26,27)15-7-8-17-16(11-15)20-19(28-17)29-12-18(23)22(6-3)14-9-10-30(24,25)13-14/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 489.64 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 24816695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).