N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide

C18H19N3O3S — CID 17142636

IUPACN-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-11(2)24-15-5-3-4-13(10-15)17(23)21-18(25)20-14-8-6-12(7-9-14)16(19)22/h3-11H,1-2H3,(H2,19,22)(H2,20,21,23,25)
InChIKeyURKXVAXGPOJXPO-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.70
Rot. Bonds5

About N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide

N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide (PubChem CID 17142636) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
PubChem CID17142636
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-11(2)24-15-5-3-4-13(10-15)17(23)21-18(25)20-14-8-6-12(7-9-14)16(19)22/h3-11H,1-2H3,(H2,19,22)(H2,20,21,23,25)
InChIKeyURKXVAXGPOJXPO-UHFFFAOYSA-N
XLogP2.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 7316263
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142762
methyl 3-[(3-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175732
3-propan-2-yloxy-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17142700
2-chloro-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 3737122
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 46760783
N-(3-methoxypropyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 26160870
3-propan-2-yloxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17142715

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide (CID 17142636) is N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The InChIKey is URKXVAXGPOJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)24-15-5-3-4-13(10-15)17(23)21-18(25)20-14-8-6-12(7-9-14)16(19)22/h3-11H,1-2H3,(H2,19,22)(H2,20,21,23,25).
What are the key properties of N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide has a molecular weight of 357.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).