(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide

C16H15Cl2N3O2S — CID 40652778

IUPAC(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(N)=S)cc1
InChIInChI=1S/C16H15Cl2N3O2S/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)20-11-3-5-12(6-4-11)21-16(19)24/h2-9H,1H3,(H,20,22)(H3,19,21,24)/t9-/m1/s1
InChIKeyDNFCHNPCKCWREO-SECBINFHSA-N
MW384.29 g/mol
LogP4.05
Rot. Bonds5

About (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 40652778) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID40652778
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(N)=S)cc1
InChIInChI=1S/C16H15Cl2N3O2S/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)20-11-3-5-12(6-4-11)21-16(19)24/h2-9H,1H3,(H,20,22)(H3,19,21,24)/t9-/m1/s1
InChIKeyDNFCHNPCKCWREO-SECBINFHSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867630
(2S)-N-(3-amino-4-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 28867631
methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
CID 55709148

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide (CID 40652778) is (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(N)=S)cc1.
What is the InChIKey of (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is DNFCHNPCKCWREO-SECBINFHSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)20-11-3-5-12(6-4-11)21-16(19)24/h2-9H,1H3,(H,20,22)(H3,19,21,24)/t9-/m1/s1.
What are the key properties of (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 384.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 40652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).