N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide

C18H20N2O3S — CID 4948583

IUPACN-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-12-23-16-7-5-4-6-15(16)17(21)20-18(24)19-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,19,20,21,24)
InChIKeyNJEYUPGRWWGBLQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.61
Rot. Bonds6

About N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide

N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide (PubChem CID 4948583) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
PubChem CID4948583
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-12-23-16-7-5-4-6-15(16)17(21)20-18(24)19-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,19,20,21,24)
InChIKeyNJEYUPGRWWGBLQ-UHFFFAOYSA-N
XLogP3.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.61
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-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
2-butoxy-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17340036
methyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate
CID 4941481
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
propyl 4-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17355916
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 28640124
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
N-[(4-bromophenyl)carbamothioyl]-2-pentoxybenzamide
CID 4946998
ethyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate
CID 4941401

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide (CID 4948583) is N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC(=S)Nc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide?
The InChIKey is NJEYUPGRWWGBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-12-23-16-7-5-4-6-15(16)17(21)20-18(24)19-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H2,19,20,21,24).
What are the key properties of N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide?
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide is sourced from PubChem (CID 4948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).