N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide

C14H15N5O5S3 — CID 20949424

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)s1
InChIInChI=1S/C14H15N5O5S3/c1-3-25-14-18-17-12(26-14)16-11(20)7-19(2)27(22,23)8-4-5-9-10(6-8)24-13(21)15-9/h4-6H,3,7H2,1-2H3,(H,15,21)(H,16,17,20)
InChIKeyIGTGWEKMGFSDRA-UHFFFAOYSA-N
MW429.51 g/mol
LogP1.34
Rot. Bonds7

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide (PubChem CID 20949424) has the molecular formula C14H15N5O5S3 and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide
PubChem CID20949424
Molecular FormulaC14H15N5O5S3
Molecular Weight429.51 g/mol
Exact Mass429.02
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide
SMILESCCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)s1
InChIInChI=1S/C14H15N5O5S3/c1-3-25-14-18-17-12(26-14)16-11(20)7-19(2)27(22,23)8-4-5-9-10(6-8)24-13(21)15-9/h4-6H,3,7H2,1-2H3,(H,15,21)(H,16,17,20)
InChIKeyIGTGWEKMGFSDRA-UHFFFAOYSA-N
XLogP1.34
TPSA138.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide 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

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20865974
2-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 50808436
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55382535
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 2484826
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110663726
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100582895
2-[methyl(methylsulfonyl)amino]-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121029665
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121029593
ethyl 2-[[5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 30750056
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121029682
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100610718

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide (CID 20949424) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide is CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide?
The InChIKey is IGTGWEKMGFSDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5S3/c1-3-25-14-18-17-12(26-14)16-11(20)7-19(2)27(22,23)8-4-5-9-10(6-8)24-13(21)15-9/h4-6H,3,7H2,1-2H3,(H,15,21)(H,16,17,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide has a molecular weight of 429.51 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 20949424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).