N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide

C14H16N4O3S2 — CID 3529063

IUPACN-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H16N4O3S2/c1-9-3-5-11(6-4-9)15-12(19)7-23(21)8-13(20)16-14-18-17-10(2)22-14/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyPDDSCHQNBBXLDZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.48
Rot. Bonds6

About N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide

N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide (PubChem CID 3529063) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
PubChem CID3529063
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H16N4O3S2/c1-9-3-5-11(6-4-9)15-12(19)7-23(21)8-13(20)16-14-18-17-10(2)22-14/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyPDDSCHQNBBXLDZ-UHFFFAOYSA-N
XLogP1.48
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide with MolForge

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Related Compounds

4-[[2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetyl]amino]benzoic acid
CID 123118336
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 47242361
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 671679
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9403203
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459689
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 33168582
N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide
CID 11903225
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide (CID 3529063) is N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide is Cc1ccc(NC(=O)CS(=O)CC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide?
The InChIKey is PDDSCHQNBBXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-9-3-5-11(6-4-9)15-12(19)7-23(21)8-13(20)16-14-18-17-10(2)22-14/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide?
N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide has a molecular weight of 352.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 3529063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).