4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide

C24H25N3O4S — CID 4937674

IUPAC4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25N3O4S/c1-16(2)14-30-20-10-8-18(9-11-20)23(29)25-24(32)27-26-22(28)15-31-21-12-7-17-5-3-4-6-19(17)13-21/h3-13,16H,14-15H2,1-2H3,(H,26,28)(H2,25,27,29,32)
InChIKeyPYMIWRAMGWYUJH-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.59
Rot. Bonds7

About 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide

4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide (PubChem CID 4937674) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
PubChem CID4937674
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25N3O4S/c1-16(2)14-30-20-10-8-18(9-11-20)23(29)25-24(32)27-26-22(28)15-31-21-12-7-17-5-3-4-6-19(17)13-21/h3-13,16H,14-15H2,1-2H3,(H,26,28)(H2,25,27,29,32)
InChIKeyPYMIWRAMGWYUJH-UHFFFAOYSA-N
XLogP3.59
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937627
4-(2-methylpropoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
CID 4937739
3-bromo-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356074
N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17344044
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953228
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4930224
3-chloro-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide
CID 4940623
3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352502
4-(3-methylbutoxy)-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4949643
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140749
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
4-fluoro-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4505373

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide (CID 4937674) is 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide is CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide?
The InChIKey is PYMIWRAMGWYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16(2)14-30-20-10-8-18(9-11-20)23(29)25-24(32)27-26-22(28)15-31-21-12-7-17-5-3-4-6-19(17)13-21/h3-13,16H,14-15H2,1-2H3,(H,26,28)(H2,25,27,29,32).
What are the key properties of 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide?
4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 4937674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).