N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide

C29H30N2O3S — CID 2194926

IUPACN-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1sc(N(C(=O)CCc2ccccc2)c2ccc(OC)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C29H30N2O3S/c1-4-11-26-28(22-14-9-6-10-15-22)30-29(35-26)31(23-17-18-24(33-2)25(20-23)34-3)27(32)19-16-21-12-7-5-8-13-21/h5-10,12-15,17-18,20H,4,11,16,19H2,1-3H3
InChIKeyQFZZNRSGCUCVFI-UHFFFAOYSA-N
MW486.64 g/mol
LogP7.08
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide

N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2194926) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide
PubChem CID2194926
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC NameN-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide
SMILESCCCc1sc(N(C(=O)CCc2ccccc2)c2ccc(OC)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C29H30N2O3S/c1-4-11-26-28(22-14-9-6-10-15-22)30-29(35-26)31(23-17-18-24(33-2)25(20-23)34-3)27(32)19-16-21-12-7-5-8-13-21/h5-10,12-15,17-18,20H,4,11,16,19H2,1-3H3
InChIKeyQFZZNRSGCUCVFI-UHFFFAOYSA-N
XLogP7.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide (CID 2194926) is N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide is CCCc1sc(N(C(=O)CCc2ccccc2)c2ccc(OC)c(OC)c2)nc1-c1ccccc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QFZZNRSGCUCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-4-11-26-28(22-14-9-6-10-15-22)30-29(35-26)31(23-17-18-24(33-2)25(20-23)34-3)27(32)19-16-21-12-7-5-8-13-21/h5-10,12-15,17-18,20H,4,11,16,19H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide?
N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 486.64 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-phenyl-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2194926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).