N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide

C20H23N3O4S2 — CID 1014410

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4S2/c24-19(11-6-16-4-2-1-3-5-16)22-20(28)21-17-7-9-18(10-8-17)29(25,26)23-12-14-27-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,28)
InChIKeySLPTUIXYQXRNAL-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.15
Rot. Bonds6

About N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide

N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide (PubChem CID 1014410) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
PubChem CID1014410
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4S2/c24-19(11-6-16-4-2-1-3-5-16)22-20(28)21-17-7-9-18(10-8-17)29(25,26)23-12-14-27-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,28)
InChIKeySLPTUIXYQXRNAL-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1302093
2-(4-chlorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide
CID 4936946
3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134651
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3393539

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide (CID 1014410) is N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide?
The InChIKey is SLPTUIXYQXRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c24-19(11-6-16-4-2-1-3-5-16)22-20(28)21-17-7-9-18(10-8-17)29(25,26)23-12-14-27-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,28).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide?
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide has a molecular weight of 433.56 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide is sourced from PubChem (CID 1014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).