N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide

C14H17N3O4S2 — CID 17224943

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(COC)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-8-23(19,20)11-7-5-4-6-10(11)13(18)15-14-17-16-12(22-14)9-21-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyGEWCPWNGKDTUFR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.12
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide (PubChem CID 17224943) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
PubChem CID17224943
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(COC)s1
InChIInChI=1S/C14H17N3O4S2/c1-3-8-23(19,20)11-7-5-4-6-10(11)13(18)15-14-17-16-12(22-14)9-21-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyGEWCPWNGKDTUFR-UHFFFAOYSA-N
XLogP2.12
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224954
2-(cyanomethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82179674
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-chloro-N-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 15472881
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
3-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 35540680

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide (CID 17224943) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(COC)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide?
The InChIKey is GEWCPWNGKDTUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-3-8-23(19,20)11-7-5-4-6-10(11)13(18)15-14-17-16-12(22-14)9-21-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).