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

C21H21FN4O3S2 — CID 138673563

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)c(F)c1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H21FN4O3S2/c1-21(2,18-12-30-20(25-18)26-31(28,29)15-6-7-15)19(27)24-14-5-8-16(17(22)10-14)13-4-3-9-23-11-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYHUBBZOFZLDPNW-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.16
Rot. Bonds7

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide (PubChem CID 138673563) has the molecular formula C21H21FN4O3S2 and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
PubChem CID138673563
Molecular FormulaC21H21FN4O3S2
Molecular Weight460.56 g/mol
Exact Mass460.10
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)c(F)c1)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C21H21FN4O3S2/c1-21(2,18-12-30-20(25-18)26-31(28,29)15-6-7-15)19(27)24-14-5-8-16(17(22)10-14)13-4-3-9-23-11-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYHUBBZOFZLDPNW-UHFFFAOYSA-N
XLogP4.16
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.16
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-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide (CID 138673563) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cccnc2)c(F)c1)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide?
The InChIKey is YHUBBZOFZLDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S2/c1-21(2,18-12-30-20(25-18)26-31(28,29)15-6-7-15)19(27)24-14-5-8-16(17(22)10-14)13-4-3-9-23-11-13/h3-5,8-12,15H,6-7H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide has a molecular weight of 460.56 g/mol, XLogP of 4.16, 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-(3-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 138673563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).