N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide

C15H20ClN3O2S — CID 3961026

IUPACN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H20ClN3O2S/c1-10(2)14(20)18-15(22)17-12-9-11(16)3-4-13(12)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,20,22)
InChIKeyDPLUGXFTJYYYBI-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.65
Rot. Bonds3

About N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide

N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide (PubChem CID 3961026) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
PubChem CID3961026
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H20ClN3O2S/c1-10(2)14(20)18-15(22)17-12-9-11(16)3-4-13(12)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,20,22)
InChIKeyDPLUGXFTJYYYBI-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.65
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-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 4287113
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 3956837
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-iodobenzamide
CID 3297915
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1257332
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 43913817
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
2-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 979258
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
(E)-N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17315781
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide (CID 3961026) is N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide is CC(C)C(=O)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide?
The InChIKey is DPLUGXFTJYYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-10(2)14(20)18-15(22)17-12-9-11(16)3-4-13(12)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H2,17,18,20,22).
What are the key properties of N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide?
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide has a molecular weight of 341.86 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 3961026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).