N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide

C16H22N4O3S2 — CID 22028039

IUPACN-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(C)CC)ns2)cc1
InChIInChI=1S/C16H22N4O3S2/c1-4-6-12-7-9-13(10-8-12)25(22,23)19-16-17-14(18-24-16)11-15(21)20(3)5-2/h7-10H,4-6,11H2,1-3H3,(H,17,18,19)
InChIKeyWBKWUPJGXKQNPR-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.31
Rot. Bonds8

About N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide

N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide (PubChem CID 22028039) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
PubChem CID22028039
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(C)CC)ns2)cc1
InChIInChI=1S/C16H22N4O3S2/c1-4-6-12-7-9-13(10-8-12)25(22,23)19-16-17-14(18-24-16)11-15(21)20(3)5-2/h7-10H,4-6,11H2,1-3H3,(H,17,18,19)
InChIKeyWBKWUPJGXKQNPR-UHFFFAOYSA-N
XLogP2.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide (CID 22028039) is N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide is CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(C)CC)ns2)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The InChIKey is WBKWUPJGXKQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-4-6-12-7-9-13(10-8-12)25(22,23)19-16-17-14(18-24-16)11-15(21)20(3)5-2/h7-10H,4-6,11H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide is sourced from PubChem (CID 22028039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).