1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C18H26N4O3S — CID 9477496

IUPAC1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCCc1ccc(N2C[C@H](C(=O)NNC(=S)N[C@H](C)COC)CC2=O)cc1
InChIInChI=1S/C18H26N4O3S/c1-4-13-5-7-15(8-6-13)22-10-14(9-16(22)23)17(24)20-21-18(26)19-12(2)11-25-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,20,24)(H2,19,21,26)/t12-,14-/m1/s1
InChIKeyVKWHCFRWAPFXHY-TZMCWYRMSA-N
MW378.50 g/mol
LogP1.13
Rot. Bonds6

About 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9477496) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9477496
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCCc1ccc(N2C[C@H](C(=O)NNC(=S)N[C@H](C)COC)CC2=O)cc1
InChIInChI=1S/C18H26N4O3S/c1-4-13-5-7-15(8-6-13)22-10-14(9-16(22)23)17(24)20-21-18(26)19-12(2)11-25-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,20,24)(H2,19,21,26)/t12-,14-/m1/s1
InChIKeyVKWHCFRWAPFXHY-TZMCWYRMSA-N
XLogP1.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea 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

1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9477452
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9390100
(3R)-1-(3,4-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40965706
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
N-[(2S)-1-methoxypropan-2-yl]-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9375324
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9477496) is 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is CCc1ccc(N2C[C@H](C(=O)NNC(=S)N[C@H](C)COC)CC2=O)cc1.
What is the InChIKey of 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is VKWHCFRWAPFXHY-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-13-5-7-15(8-6-13)22-10-14(9-16(22)23)17(24)20-21-18(26)19-12(2)11-25-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,20,24)(H2,19,21,26)/t12-,14-/m1/s1.
What are the key properties of 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 378.50 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9477496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).