3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide

C18H17Cl2N3O2S — CID 1278265

IUPAC3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-6-5-12(11-14(13)20)17(24)22-18(26)21-15-3-1-2-4-16(15)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H2,21,22,24,26)
InChIKeyOOYAQQMQHGTGQX-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.96
Rot. Bonds3

About 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide

3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (PubChem CID 1278265) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
PubChem CID1278265
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-6-5-12(11-14(13)20)17(24)22-18(26)21-15-3-1-2-4-16(15)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H2,21,22,24,26)
InChIKeyOOYAQQMQHGTGQX-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336341
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4511810
3,4-dichloro-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 5114025
4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-(phenoxymethyl)benzamide
CID 1312311
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17116130
3-chloro-4-methoxy-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3942245
3-chloro-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-methoxybenzamide
CID 3384413
3,4-dichloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 4030604

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (CID 1278265) is 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The InChIKey is OOYAQQMQHGTGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-13-6-5-12(11-14(13)20)17(24)22-18(26)21-15-3-1-2-4-16(15)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H2,21,22,24,26).
What are the key properties of 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide has a molecular weight of 410.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1278265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).