N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide

C24H25F2N3O2S — CID 11633936

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2ccccc2-c2nccs2)CC1
InChIInChI=1S/C24H25F2N3O2S/c1-15(30)29-21(12-16-10-17(25)13-18(26)11-16)22(31)14-28-24(6-7-24)20-5-3-2-4-19(20)23-27-8-9-32-23/h2-5,8-11,13,21-22,28,31H,6-7,12,14H2,1H3,(H,29,30)
InChIKeyPNXPFYACLAGPIP-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.78
Rot. Bonds9

About N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide (PubChem CID 11633936) has the molecular formula C24H25F2N3O2S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
PubChem CID11633936
Molecular FormulaC24H25F2N3O2S
Molecular Weight457.55 g/mol
Exact Mass457.16
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2ccccc2-c2nccs2)CC1
InChIInChI=1S/C24H25F2N3O2S/c1-15(30)29-21(12-16-10-17(25)13-18(26)11-16)22(31)14-28-24(6-7-24)20-5-3-2-4-19(20)23-27-8-9-32-23/h2-5,8-11,13,21-22,28,31H,6-7,12,14H2,1H3,(H,29,30)
InChIKeyPNXPFYACLAGPIP-UHFFFAOYSA-N
XLogP3.78
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide (CID 11633936) is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2ccccc2-c2nccs2)CC1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide?
The InChIKey is PNXPFYACLAGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2S/c1-15(30)29-21(12-16-10-17(25)13-18(26)11-16)22(31)14-28-24(6-7-24)20-5-3-2-4-19(20)23-27-8-9-32-23/h2-5,8-11,13,21-22,28,31H,6-7,12,14H2,1H3,(H,29,30).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide has a molecular weight of 457.55 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[2-(1,3-thiazol-2-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 11633936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).