4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C15H21N3O2S — CID 61499910

IUPAC4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H21N3O2S/c1-11(10-18-6-8-20-9-7-18)17-15(19)13-4-2-12(3-5-13)14(16)21/h2-5,11H,6-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyVFLYSYXUJAKGRZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.77
Rot. Bonds5

About 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide

4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 61499910) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID61499910
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H21N3O2S/c1-11(10-18-6-8-20-9-7-18)17-15(19)13-4-2-12(3-5-13)14(16)21/h2-5,11H,6-10H2,1H3,(H2,16,21)(H,17,19)
InChIKeyVFLYSYXUJAKGRZ-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.77
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

3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
4-(2-cyclopropyl-2-oxoethoxy)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 95763360
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 55715611
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 94116750
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 94129990
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
4-carbamothioyl-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82939675

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 61499910) is 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is VFLYSYXUJAKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(10-18-6-8-20-9-7-18)17-15(19)13-4-2-12(3-5-13)14(16)21/h2-5,11H,6-10H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 307.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61499910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).