1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea

C18H17ClN4O2S — CID 9317516

IUPAC1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H17ClN4O2S/c19-12-7-9-13(10-8-12)20-18(26)22-21-17(25)14-4-1-2-5-15(14)23-11-3-6-16(23)24/h1-2,4-5,7-10H,3,6,11H2,(H,21,25)(H2,20,22,26)
InChIKeyQJISLEOXQNFFQD-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.10
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea

1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea (PubChem CID 9317516) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
PubChem CID9317516
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C18H17ClN4O2S/c19-12-7-9-13(10-8-12)20-18(26)22-21-17(25)14-4-1-2-5-15(14)23-11-3-6-16(23)24/h1-2,4-5,7-10H,3,6,11H2,(H,21,25)(H2,20,22,26)
InChIKeyQJISLEOXQNFFQD-UHFFFAOYSA-N
XLogP3.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9139011
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499
1-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9317879
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 92541809
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-pentylthiourea
CID 9093295
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea (CID 9317516) is 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea is O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The InChIKey is QJISLEOXQNFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-12-7-9-13(10-8-12)20-18(26)22-21-17(25)14-4-1-2-5-15(14)23-11-3-6-16(23)24/h1-2,4-5,7-10H,3,6,11H2,(H,21,25)(H2,20,22,26).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea has a molecular weight of 388.88 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea is sourced from PubChem (CID 9317516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).