methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate

C12H14N4O4S2 — CID 657909

IUPACmethyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1
InChIInChI=1S/C12H14N4O4S2/c1-3-10-14-15-11(21-10)16-22(18,19)9-6-4-8(5-7-9)13-12(17)20-2/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHMNDTWGMDYIPIJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.08
Rot. Bonds5

About methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate

methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate (PubChem CID 657909) has the molecular formula C12H14N4O4S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate
PubChem CID657909
Molecular FormulaC12H14N4O4S2
Molecular Weight342.40 g/mol
Exact Mass342.05
IUPAC Namemethyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1
InChIInChI=1S/C12H14N4O4S2/c1-3-10-14-15-11(21-10)16-22(18,19)9-6-4-8(5-7-9)13-12(17)20-2/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHMNDTWGMDYIPIJ-UHFFFAOYSA-N
XLogP2.08
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5328
Sulfaethidole
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Glyprothiazol
CID 66458
N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
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N-[4-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 652436
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
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N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569
Methyl 4-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)-4-oxobutanoate
CID 1830838
N-[4-(5-Ethyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-succinamic acid
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3-[4-(5-Ethyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenylcarbamoyl]-acrylic acid
CID 5760270
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CID 655746

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate (CID 657909) is methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)s1.
What is the InChIKey of methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is HMNDTWGMDYIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S2/c1-3-10-14-15-11(21-10)16-22(18,19)9-6-4-8(5-7-9)13-12(17)20-2/h4-7H,3H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 657909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).