2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide

C19H18N4O3S2 — CID 138673742

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(11-16-12-27-19(22-16)23-28(25,26)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23)
InChIKeySJCPEFRWLYUUBA-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 138673742) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
PubChem CID138673742
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(11-16-12-27-19(22-16)23-28(25,26)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23)
InChIKeySJCPEFRWLYUUBA-UHFFFAOYSA-N
XLogP3.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide (CID 138673742) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is SJCPEFRWLYUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c24-18(11-16-12-27-19(22-16)23-28(25,26)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 138673742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).