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

C17H24N4O3S2 — CID 22027935

IUPACN,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(CC)CC)ns2)cc1
InChIInChI=1S/C17H24N4O3S2/c1-4-7-13-8-10-14(11-9-13)26(23,24)20-17-18-15(19-25-17)12-16(22)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,19,20)
InChIKeyXYQAXJLFUUFLMD-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.70
Rot. Bonds9

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

N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide (PubChem CID 22027935) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
PubChem CID22027935
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(CC)CC)ns2)cc1
InChIInChI=1S/C17H24N4O3S2/c1-4-7-13-8-10-14(11-9-13)26(23,24)20-17-18-15(19-25-17)12-16(22)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,19,20)
InChIKeyXYQAXJLFUUFLMD-UHFFFAOYSA-N
XLogP2.70
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide (CID 22027935) is N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide is CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(CC)CC)ns2)cc1.
What is the InChIKey of N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
The InChIKey is XYQAXJLFUUFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-4-7-13-8-10-14(11-9-13)26(23,24)20-17-18-15(19-25-17)12-16(22)21(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,18,19,20).
What are the key properties of N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide?
N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[(4-propylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]acetamide is sourced from PubChem (CID 22027935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).