3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide

C23H24N2OS — CID 2816274

IUPAC3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide
SMILESCCCNC(=CC(=S)Nc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C23H24N2OS/c1-3-15-24-22(18-11-13-19(26-2)14-12-18)16-23(27)25-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,25,27)
InChIKeyYIKULIMTTSHUJJ-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.63
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide

3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide (PubChem CID 2816274) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide
PubChem CID2816274
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide
SMILESCCCNC(=CC(=S)Nc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C23H24N2OS/c1-3-15-24-22(18-11-13-19(26-2)14-12-18)16-23(27)25-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,25,27)
InChIKeyYIKULIMTTSHUJJ-UHFFFAOYSA-N
XLogP5.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)ethenyl]propan-1-amine
CID 2983485
2-[2-(4-methoxybenzoyl)hydrazinyl]-N-naphthalen-1-yl-2-oxoacetamide
CID 3117709
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide
CID 17219121
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
(Z)-1,3-bis(4-methoxyphenyl)-3-(2-propylsulfanylethylamino)prop-2-en-1-one
CID 102297063
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea
CID 163818652
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide (CID 2816274) is 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide is CCCNC(=CC(=S)Nc1cccc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide?
The InChIKey is YIKULIMTTSHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-3-15-24-22(18-11-13-19(26-2)14-12-18)16-23(27)25-21-10-6-8-17-7-4-5-9-20(17)21/h4-14,16,24H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide?
3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide has a molecular weight of 376.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-naphthalen-1-yl-3-(propylamino)prop-2-enethioamide is sourced from PubChem (CID 2816274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).