2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide

C18H19ClN2O2S — CID 17154881

IUPAC2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2S/c1-12(2)23-16-5-3-4-15(11-16)20-18(24)21-17(22)10-13-6-8-14(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyMISDQVSTMYRHKE-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide (PubChem CID 17154881) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
PubChem CID17154881
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
SMILESCC(C)Oc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2S/c1-12(2)23-16-5-3-4-15(11-16)20-18(24)21-17(22)10-13-6-8-14(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyMISDQVSTMYRHKE-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382
N-(phenylcarbamothioyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 3799684
1-[3-(4-chlorophenyl)propyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100673188
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154871
3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide
CID 26160978
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235868
1-[(4-fluorophenyl)methyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100635319

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide (CID 17154881) is 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide is CC(C)Oc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
The InChIKey is MISDQVSTMYRHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12(2)23-16-5-3-4-15(11-16)20-18(24)21-17(22)10-13-6-8-14(19)9-7-13/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide has a molecular weight of 362.88 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).