N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide

C12H14N4O5S2 — CID 55979400

IUPACN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c(OC)c1
InChIInChI=1S/C12H14N4O5S2/c1-20-7-4-5-8(9(6-7)21-2)10(17)13-11-14-15-12(22-11)16-23(3,18)19/h4-6H,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOTHQBZHQHJNAAK-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.18
Rot. Bonds6

About N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide

N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 55979400) has the molecular formula C12H14N4O5S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID55979400
Molecular FormulaC12H14N4O5S2
Molecular Weight358.40 g/mol
Exact Mass358.04
IUPAC NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c(OC)c1
InChIInChI=1S/C12H14N4O5S2/c1-20-7-4-5-8(9(6-7)21-2)10(17)13-11-14-15-12(22-11)16-23(3,18)19/h4-6H,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOTHQBZHQHJNAAK-UHFFFAOYSA-N
XLogP1.18
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
2,4-dimethoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 42448319
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 4163720
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 43140311
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 7096036
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-iodobenzamide
CID 3645848
2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 55979286
2,4-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4133565

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide (CID 55979400) is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c(OC)c1.
What is the InChIKey of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is OTHQBZHQHJNAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S2/c1-20-7-4-5-8(9(6-7)21-2)10(17)13-11-14-15-12(22-11)16-23(3,18)19/h4-6H,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide?
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 55979400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).