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

C16H23N3OS — CID 8786711

IUPAC(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(=S)NC1CC1)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H23N3OS/c1-4-19(16(21)18-14-9-10-14)12(3)15(20)17-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyGQUUZVFNLQAHRC-GFCCVEGCSA-N
MW305.45 g/mol
LogP2.68
Rot. Bonds5

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

(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 8786711) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
PubChem CID8786711
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(=S)NC1CC1)[C@H](C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H23N3OS/c1-4-19(16(21)18-14-9-10-14)12(3)15(20)17-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyGQUUZVFNLQAHRC-GFCCVEGCSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
CID 8786706
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
(2S)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide
CID 8786715
(2R)-2-[ethyl(pentan-3-ylcarbamoyl)amino]-N-(4-methylphenyl)propanamide
CID 41260508
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
3-cyclopropyl-1-ethyl-1-propan-2-ylthiourea
CID 116507332
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide (CID 8786711) is (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide is CCN(C(=S)NC1CC1)[C@H](C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is GQUUZVFNLQAHRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-19(16(21)18-14-9-10-14)12(3)15(20)17-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide?
(2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[cyclopropylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 8786711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).