1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea

C20H23N3O2S — CID 43076552

IUPAC1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
SMILESCc1ccccc1NC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-4-2-3-5-18(15)22-20(26)21-17-8-6-16(7-9-17)14-19(24)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H2,21,22,26)
InChIKeyAWVMXUKBZOVYAY-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea

1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea (PubChem CID 43076552) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
PubChem CID43076552
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
SMILESCc1ccccc1NC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-15-4-2-3-5-18(15)22-20(26)21-17-8-6-16(7-9-17)14-19(24)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H2,21,22,26)
InChIKeyAWVMXUKBZOVYAY-UHFFFAOYSA-N
XLogP3.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.21
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

1-(2,5-dimethylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076545
1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076539
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
CID 39939581
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
2-formamidoacetic acid;1-(2-methylphenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 176980922
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea (CID 43076552) is 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea is Cc1ccccc1NC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The InChIKey is AWVMXUKBZOVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-4-2-3-5-18(15)22-20(26)21-17-8-6-16(7-9-17)14-19(24)23-10-12-25-13-11-23/h2-9H,10-14H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea has a molecular weight of 369.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea is sourced from PubChem (CID 43076552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).