N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide

C29H29FN2OS — CID 175599826

IUPACN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N(C)c2ccccc2-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C29H29FN2OS/c1-19(2)17-21-9-11-22(12-10-21)20(3)29(33)32(4)27-8-6-5-7-25(27)28-31-26(18-34-28)23-13-15-24(30)16-14-23/h5-16,18-20H,17H2,1-4H3
InChIKeyUPZYFTFARPXTJF-UHFFFAOYSA-N
MW472.63 g/mol
LogP7.58
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 175599826) has the molecular formula C29H29FN2OS and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID175599826
Molecular FormulaC29H29FN2OS
Molecular Weight472.63 g/mol
Exact Mass472.20
IUPAC NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)N(C)c2ccccc2-c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C29H29FN2OS/c1-19(2)17-21-9-11-22(12-10-21)20(3)29(33)32(4)27-8-6-5-7-25(27)28-31-26(18-34-28)23-13-15-24(30)16-14-23/h5-16,18-20H,17H2,1-4H3
InChIKeyUPZYFTFARPXTJF-UHFFFAOYSA-N
XLogP7.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide (CID 175599826) is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)N(C)c2ccccc2-c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is UPZYFTFARPXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2OS/c1-19(2)17-21-9-11-22(12-10-21)20(3)29(33)32(4)27-8-6-5-7-25(27)28-31-26(18-34-28)23-13-15-24(30)16-14-23/h5-16,18-20H,17H2,1-4H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 472.63 g/mol, XLogP of 7.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 175599826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).