N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide

C18H20N2O3S — CID 2901874

IUPACN-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)17(21)20-18(24)19-15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24)
InChIKeyBFZDTNZPAYHBDW-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.61
Rot. Bonds6

About N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide

N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide (PubChem CID 2901874) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
PubChem CID2901874
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)17(21)20-18(24)19-15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24)
InChIKeyBFZDTNZPAYHBDW-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-[(2-bromophenyl)carbamothioyl]-3-propoxybenzamide
CID 4960310
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
3-[(3-butoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 29079757
3-butoxy-N-[(5-chloro-2-methoxyphenyl)carbamothioyl]benzamide
CID 2174385
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1018499
3-(2-ethoxyethoxy)-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17151137
N-phenyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzamide
CID 54781287
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-3-propoxybenzamide
CID 23096364
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17139857
3-butoxy-N-[[(2-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4957325

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide?
The IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide (CID 2901874) is N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC)c1.
What is the InChIKey of N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide?
The InChIKey is BFZDTNZPAYHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)17(21)20-18(24)19-15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24).
What are the key properties of N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide?
N-[(2-methoxyphenyl)carbamothioyl]-3-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-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide is sourced from PubChem (CID 2901874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).