N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide

C20H17ClN4O2S — CID 87651828

IUPACN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
SMILESNc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClN4O2S/c21-16-11-14(27-15-8-9-23-18(22)12-15)6-7-17(16)24-20(28)25-19(26)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,22,23)(H2,24,25,26,28)
InChIKeyVMJNMGRPZXIWPJ-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.17
Rot. Bonds5

About N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide

N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 87651828) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
PubChem CID87651828
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide
SMILESNc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClN4O2S/c21-16-11-14(27-15-8-9-23-18(22)12-15)6-7-17(16)24-20(28)25-19(26)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,22,23)(H2,24,25,26,28)
InChIKeyVMJNMGRPZXIWPJ-UHFFFAOYSA-N
XLogP4.17
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methylphenyl]carbamothioyl]-2-phenylacetamide
CID 87654266
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 25195958
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59011630
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315
4-chloro-3-[(2-phenylacetyl)carbamothioylamino]benzoate
CID 6957360
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4925407
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
2-phenyl-N-[[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]carbamothioyl]acetamide
CID 71678072
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide (CID 87651828) is N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide is Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccccc3)c(Cl)c2)ccn1.
What is the InChIKey of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is VMJNMGRPZXIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-16-11-14(27-15-8-9-23-18(22)12-15)6-7-17(16)24-20(28)25-19(26)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,22,23)(H2,24,25,26,28).
What are the key properties of N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 412.90 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 87651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).