N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide

C24H25N3O3S — CID 17205303

IUPACN-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-15-5-14-25-23(29)18-10-12-20(13-11-18)26-24(31)27-22(28)16-19-8-4-7-17-6-2-3-9-21(17)19/h2-4,6-13H,5,14-16H2,1H3,(H,25,29)(H2,26,27,28,31)
InChIKeyDWJRBFBEFNDYPF-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.66
Rot. Bonds8

About N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide

N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide (PubChem CID 17205303) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
PubChem CID17205303
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-15-5-14-25-23(29)18-10-12-20(13-11-18)26-24(31)27-22(28)16-19-8-4-7-17-6-2-3-9-21(17)19/h2-4,6-13H,5,14-16H2,1H3,(H,25,29)(H2,26,27,28,31)
InChIKeyDWJRBFBEFNDYPF-UHFFFAOYSA-N
XLogP3.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 28642901
N,N-dimethyl-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide
CID 17231499
N-(3-methoxypropyl)-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164239
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17205199
N-(3-methoxypropyl)-4-(tetradecanoylcarbamothioylamino)benzamide
CID 54791193
3-phenylpropyl 4-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17205323
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
4-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3-methoxypropyl)benzamide
CID 17205331
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17205311
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide (CID 17205303) is N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide is COCCCNC(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
The InChIKey is DWJRBFBEFNDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-30-15-5-14-25-23(29)18-10-12-20(13-11-18)26-24(31)27-22(28)16-19-8-4-7-17-6-2-3-9-21(17)19/h2-4,6-13H,5,14-16H2,1H3,(H,25,29)(H2,26,27,28,31).
What are the key properties of N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide?
N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide has a molecular weight of 435.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzamide is sourced from PubChem (CID 17205303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).