N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide

C18H19ClN2O2S — CID 17142726

IUPACN-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)23-15-6-4-5-13(9-15)17(22)21-18(24)20-16-10-14(19)8-7-12(16)3/h4-11H,1-3H3,(H2,20,21,22,24)
InChIKeySPFANPMQTJKZNF-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.56
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide

N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide (PubChem CID 17142726) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
PubChem CID17142726
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
SMILESCc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)23-15-6-4-5-13(9-15)17(22)21-18(24)20-16-10-14(19)8-7-12(16)3/h4-11H,1-3H3,(H2,20,21,22,24)
InChIKeySPFANPMQTJKZNF-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yloxy-N-[(5-chloro-2-methylphenyl)carbamothioyl]benzamide
CID 17150097
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142646
N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 1339065
N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17103066
5-bromo-2-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 4513373
N-tert-butyl-3-chloro-7-[(3-propan-2-yloxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide
CID 17098540
2-chloro-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 3737122
N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142636
4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 7316263
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142815

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide (CID 17142726) is N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide is Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
The InChIKey is SPFANPMQTJKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-11(2)23-15-6-4-5-13(9-15)17(22)21-18(24)20-16-10-14(19)8-7-12(16)3/h4-11H,1-3H3,(H2,20,21,22,24).
What are the key properties of N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide?
N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).