2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide

C18H19ClN2O2S — CID 4943277

IUPAC2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
SMILESCCCOc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-11-23-16-9-7-15(8-10-16)20-18(24)21-17(22)12-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H2,20,21,22,24)
InChIKeyOPPVPTSZCDNJHU-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.18
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide (PubChem CID 4943277) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
PubChem CID4943277
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
SMILESCCCOc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2S/c1-2-11-23-16-9-7-15(8-10-16)20-18(24)21-17(22)12-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H2,20,21,22,24)
InChIKeyOPPVPTSZCDNJHU-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.18
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

propyl 4-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 4632527
4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-ethylbenzamide
CID 17234503
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
CID 4943273
ethyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate
CID 19188836
2-(4-chlorophenyl)-N-[(6-chloro-3-pyridinyl)carbamothioyl]acetamide
CID 54788250
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936886
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4938312
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
CID 17340586

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide (CID 4943277) is 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide is CCCOc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide?
The InChIKey is OPPVPTSZCDNJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-2-11-23-16-9-7-15(8-10-16)20-18(24)21-17(22)12-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H2,20,21,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide has a molecular weight of 362.88 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 4943277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).