(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide

C20H24ClN3OS — CID 8771548

IUPAC(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide
SMILESCCCN(C(=S)NCc1ccccc1)[C@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3OS/c1-3-12-24(20(26)22-14-16-8-5-4-6-9-16)15(2)19(25)23-18-11-7-10-17(21)13-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyLCJSZEWGUYSSPO-OAHLLOKOSA-N
MW389.95 g/mol
LogP4.45
Rot. Bonds7

About (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide

(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide (PubChem CID 8771548) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide
PubChem CID8771548
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide
SMILESCCCN(C(=S)NCc1ccccc1)[C@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3OS/c1-3-12-24(20(26)22-14-16-8-5-4-6-9-16)15(2)19(25)23-18-11-7-10-17(21)13-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1
InChIKeyLCJSZEWGUYSSPO-OAHLLOKOSA-N
XLogP4.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-chlorophenyl)-2-[2-phenylethylcarbamothioyl(propyl)amino]propanamide
CID 8771559
(2R)-N-(3-chlorophenyl)-2-[(4-ethylphenyl)carbamothioyl-propylamino]propanamide
CID 8682083
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
2-bromo-N-(3-chlorophenyl)pentanamide
CID 19256824
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide (CID 8771548) is (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide is CCCN(C(=S)NCc1ccccc1)[C@H](C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide?
The InChIKey is LCJSZEWGUYSSPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-3-12-24(20(26)22-14-16-8-5-4-6-9-16)15(2)19(25)23-18-11-7-10-17(21)13-18/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide?
(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide has a molecular weight of 389.95 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 8771548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).