2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide

C17H23N3O3S — CID 17195011

IUPAC2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)15(22)19-16(24)18-13-6-4-12(5-7-13)14(21)20-8-10-23-11-9-20/h4-7H,8-11H2,1-3H3,(H2,18,19,22,24)
InChIKeyZNBWFPUZRYNTEG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.02
Rot. Bonds2

About 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide

2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide (PubChem CID 17195011) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
PubChem CID17195011
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)15(22)19-16(24)18-13-6-4-12(5-7-13)14(21)20-8-10-23-11-9-20/h4-7H,8-11H2,1-3H3,(H2,18,19,22,24)
InChIKeyZNBWFPUZRYNTEG-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.02
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

N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989
1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17195062
2,2-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide
CID 17099800
3-iodo-4-methoxy-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17194981
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17194977
1-[4-(morpholine-4-carbonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51392293
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide
CID 925579

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide (CID 17195011) is 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide is CC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide?
The InChIKey is ZNBWFPUZRYNTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2,3)15(22)19-16(24)18-13-6-4-12(5-7-13)14(21)20-8-10-23-11-9-20/h4-7H,8-11H2,1-3H3,(H2,18,19,22,24).
What are the key properties of 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide?
2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 17195011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).