N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide

C20H22N4O3S2 — CID 22028076

IUPACN-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1nsc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H22N4O3S2/c1-14(2)24(3)19(25)13-18-21-20(28-22-18)23-29(26,27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22,23)
InChIKeyJMZPQHOUBSOWPQ-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.42
Rot. Bonds7

About N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide

N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide (PubChem CID 22028076) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
PubChem CID22028076
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC NameN-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1nsc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H22N4O3S2/c1-14(2)24(3)19(25)13-18-21-20(28-22-18)23-29(26,27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22,23)
InChIKeyJMZPQHOUBSOWPQ-UHFFFAOYSA-N
XLogP3.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide (CID 22028076) is N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cc1nsc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is JMZPQHOUBSOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-14(2)24(3)19(25)13-18-21-20(28-22-18)23-29(26,27)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide?
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 430.56 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 22028076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).