4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

C29H24N2O2S — CID 108751489

IUPAC4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESO=C(CCCOc1ccc2ccccc2c1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H24N2O2S/c32-28(11-6-18-33-26-17-14-21-7-4-5-10-24(21)19-26)30-25-15-12-22(13-16-25)27-20-34-29(31-27)23-8-2-1-3-9-23/h1-5,7-10,12-17,19-20H,6,11,18H2,(H,30,32)
InChIKeyVQPIEPGGCKCZFK-UHFFFAOYSA-N
MW464.59 g/mol
LogP7.43
Rot. Bonds8

About 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide

4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108751489) has the molecular formula C29H24N2O2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108751489
Molecular FormulaC29H24N2O2S
Molecular Weight464.59 g/mol
Exact Mass464.16
IUPAC Name4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESO=C(CCCOc1ccc2ccccc2c1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C29H24N2O2S/c32-28(11-6-18-33-26-17-14-21-7-4-5-10-24(21)19-26)30-25-15-12-22(13-16-25)27-20-34-29(31-27)23-8-2-1-3-9-23/h1-5,7-10,12-17,19-20H,6,11,18H2,(H,30,32)
InChIKeyVQPIEPGGCKCZFK-UHFFFAOYSA-N
XLogP7.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
2-naphthalen-2-yloxy-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984946
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108751489) is 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is O=C(CCCOc1ccc2ccccc2c1)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is VQPIEPGGCKCZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2S/c32-28(11-6-18-33-26-17-14-21-7-4-5-10-24(21)19-26)30-25-15-12-22(13-16-25)27-20-34-29(31-27)23-8-2-1-3-9-23/h1-5,7-10,12-17,19-20H,6,11,18H2,(H,30,32).
What are the key properties of 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 464.59 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108751489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).