3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea

C17H24N4O3S — CID 9365794

IUPAC3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
SMILESCOCCCNC(=S)N(C)NC(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N4O3S/c1-20(17(25)18-10-6-12-24-2)19-16(23)13-7-3-4-8-14(13)21-11-5-9-15(21)22/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,25)(H,19,23)
InChIKeyNHIJLAAXAGHQCU-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.30
Rot. Bonds6

About 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea

3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea (PubChem CID 9365794) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
PubChem CID9365794
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
SMILESCOCCCNC(=S)N(C)NC(=O)c1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N4O3S/c1-20(17(25)18-10-6-12-24-2)19-16(23)13-7-3-4-8-14(13)21-11-5-9-15(21)22/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,25)(H,19,23)
InChIKeyNHIJLAAXAGHQCU-UHFFFAOYSA-N
XLogP1.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)-1-methyl-1-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea
CID 9365504
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068
3-(3-methoxypropyl)-1-methyl-1-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]thiourea
CID 9365663
1-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-methoxypropyl)thiourea
CID 43076575
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
1-(1-benzofuran-2-carbonylamino)-3-(3-methoxypropyl)-1-methylthiourea
CID 9329159
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 139004492
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8968015
1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea
CID 9086734

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea (CID 9365794) is 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The canonical SMILES for 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea is COCCCNC(=S)N(C)NC(=O)c1ccccc1N1CCCC1=O.
What is the InChIKey of 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
The InChIKey is NHIJLAAXAGHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-20(17(25)18-10-6-12-24-2)19-16(23)13-7-3-4-8-14(13)21-11-5-9-15(21)22/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,25)(H,19,23).
What are the key properties of 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea?
3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea has a molecular weight of 364.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methyl-1-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea is sourced from PubChem (CID 9365794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).