(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide

C19H29N3OS — CID 8786706

IUPAC(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(=S)NC1CCCCC1)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H29N3OS/c1-4-22(19(24)21-16-8-6-5-7-9-16)15(3)18(23)20-17-12-10-14(2)11-13-17/h10-13,15-16H,4-9H2,1-3H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyXCXNGPFQYDIARO-OAHLLOKOSA-N
MW347.53 g/mol
LogP3.85
Rot. Bonds5

About (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide

(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 8786706) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
PubChem CID8786706
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(=S)NC1CCCCC1)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H29N3OS/c1-4-22(19(24)21-16-8-6-5-7-9-16)15(3)18(23)20-17-12-10-14(2)11-13-17/h10-13,15-16H,4-9H2,1-3H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyXCXNGPFQYDIARO-OAHLLOKOSA-N
XLogP3.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide (CID 8786706) is (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide is CCN(C(=S)NC1CCCCC1)[C@H](C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is XCXNGPFQYDIARO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-4-22(19(24)21-16-8-6-5-7-9-16)15(3)18(23)20-17-12-10-14(2)11-13-17/h10-13,15-16H,4-9H2,1-3H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 347.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 8786706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).