N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide

C20H21N3O3S — CID 17194989

IUPACN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3S/c24-18(14-15-4-2-1-3-5-15)22-20(27)21-17-8-6-16(7-9-17)19(25)23-10-12-26-13-11-23/h1-9H,10-14H2,(H2,21,22,24,27)
InChIKeySDSIOASFQMFYIS-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.21
Rot. Bonds4

About N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide

N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 17194989) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID17194989
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3S/c24-18(14-15-4-2-1-3-5-15)22-20(27)21-17-8-6-16(7-9-17)19(25)23-10-12-26-13-11-23/h1-9H,10-14H2,(H2,21,22,24,27)
InChIKeySDSIOASFQMFYIS-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.21
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

2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
CID 17195011
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 54860206
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
2-[4-(morpholine-4-carbonyl)phenoxy]-N-phenylacetamide
CID 18837739
1-[4-(morpholine-4-carbonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51392293
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17195062

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide (CID 17194989) is N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is SDSIOASFQMFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-18(14-15-4-2-1-3-5-15)22-20(27)21-17-8-6-16(7-9-17)19(25)23-10-12-26-13-11-23/h1-9H,10-14H2,(H2,21,22,24,27).
What are the key properties of N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 383.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 17194989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).