3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

C20H24N2O3S — CID 4957755

IUPAC3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-24-18-7-5-6-15(12-18)19(23)22-20(26)21-16-8-10-17(11-9-16)25-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyBIFSFHQGSXFPPT-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.25
Rot. Bonds7

About 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide (PubChem CID 4957755) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
PubChem CID4957755
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-24-18-7-5-6-15(12-18)19(23)22-20(26)21-16-8-10-17(11-9-16)25-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyBIFSFHQGSXFPPT-UHFFFAOYSA-N
XLogP4.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17099390
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17202804
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4636534
3-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4957757
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140531
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 46760781
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960395
3-[(3-ethoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 17197743
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
N-[(4-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 881380

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide (CID 4957755) is 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide is CCOc1cccc(C(=O)NC(=S)Nc2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is BIFSFHQGSXFPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-24-18-7-5-6-15(12-18)19(23)22-20(26)21-16-8-10-17(11-9-16)25-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide?
3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 4957755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).