N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide

C18H18ClN3O3S — CID 4938312

IUPACN-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-25-15-8-4-13(5-9-15)10-16(23)20-18(26)22-21-17(24)11-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,26)
InChIKeyGWWURPZEJJBWAO-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.16
Rot. Bonds5

About N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 4938312) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID4938312
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3S/c1-25-15-8-4-13(5-9-15)10-16(23)20-18(26)22-21-17(24)11-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,26)
InChIKeyGWWURPZEJJBWAO-UHFFFAOYSA-N
XLogP2.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]octanamide
CID 4959098
2-(4-chlorophenyl)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937121
N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 4512986
(E)-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227694
2-(4-chlorophenyl)-N-[(4-propoxyphenyl)carbamothioyl]acetamide
CID 4943277
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
2-(4-chlorophenyl)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]acetamide
CID 4928243
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4659718
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide
CID 46762020
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
5-bromo-2-methoxy-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide
CID 17094632

Frequently Asked Questions

What is the IUPAC name of N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 4938312) is N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is GWWURPZEJJBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-25-15-8-4-13(5-9-15)10-16(23)20-18(26)22-21-17(24)11-12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,26).
What are the key properties of N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 391.88 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).