2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide

C19H18N4O3S2 — CID 138673516

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H18N4O3S2/c24-18(10-15-12-27-19(21-15)23-28(25,26)16-7-8-16)22-17-9-6-14(11-20-17)13-4-2-1-3-5-13/h1-6,9,11-12,16H,7-8,10H2,(H,21,23)(H,20,22,24)
InChIKeyMJOFWACRQRIBLW-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 138673516) 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-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID138673516
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C19H18N4O3S2/c24-18(10-15-12-27-19(21-15)23-28(25,26)16-7-8-16)22-17-9-6-14(11-20-17)13-4-2-1-3-5-13/h1-6,9,11-12,16H,7-8,10H2,(H,21,23)(H,20,22,24)
InChIKeyMJOFWACRQRIBLW-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-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 138673516) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide is O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is MJOFWACRQRIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c24-18(10-15-12-27-19(21-15)23-28(25,26)16-7-8-16)22-17-9-6-14(11-20-17)13-4-2-1-3-5-13/h1-6,9,11-12,16H,7-8,10H2,(H,21,23)(H,20,22,24).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(5-phenyl-2-pyridinyl)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-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 138673516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).