N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide

C22H28N2OS — CID 2326068

IUPACN-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
SMILESC[C@H](NC(=S)CCc1ccccc1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H28N2OS/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(20-10-6-3-7-11-20)24-14-16-25-17-15-24/h2-11,18,22H,12-17H2,1H3,(H,23,26)/t18-,22+/m0/s1
InChIKeySTUGGEMQWKTUDZ-PGRDOPGGSA-N
MW368.55 g/mol
LogP4.00
Rot. Bonds7

About N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide

N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide (PubChem CID 2326068) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
PubChem CID2326068
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
SMILESC[C@H](NC(=S)CCc1ccccc1)[C@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H28N2OS/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(20-10-6-3-7-11-20)24-14-16-25-17-15-24/h2-11,18,22H,12-17H2,1H3,(H,23,26)/t18-,22+/m0/s1
InChIKeySTUGGEMQWKTUDZ-PGRDOPGGSA-N
XLogP4.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326065
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
1-(3-methylphenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656574
1-(3,4-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656530
1-(2,5-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656601
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8540974

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide?
The IUPAC name of N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide (CID 2326068) is N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide.
What is the SMILES notation for N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide?
The canonical SMILES for N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide is C[C@H](NC(=S)CCc1ccccc1)[C@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide?
The InChIKey is STUGGEMQWKTUDZ-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-18(23-21(26)13-12-19-8-4-2-5-9-19)22(20-10-6-3-7-11-20)24-14-16-25-17-15-24/h2-11,18,22H,12-17H2,1H3,(H,23,26)/t18-,22+/m0/s1.
What are the key properties of N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide?
N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide has a molecular weight of 368.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide is sourced from PubChem (CID 2326068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).