1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea

C18H29N3O4S — CID 108899906

IUPAC1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N(CCN(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H29N3O4S/c1-20(2)11-12-21(16-9-13-26(23,24)14-16)18(22)19-10-8-15-6-4-5-7-17(15)25-3/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyUWOZLTYGTJLTOX-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.00
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea

1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 108899906) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID108899906
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N(CCN(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H29N3O4S/c1-20(2)11-12-21(16-9-13-26(23,24)14-16)18(22)19-10-8-15-6-4-5-7-17(15)25-3/h4-7,16H,8-14H2,1-3H3,(H,19,22)
InChIKeyUWOZLTYGTJLTOX-UHFFFAOYSA-N
XLogP1.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900078
3-benzyl-1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 108871318
1-[3-(dimethylamino)propyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methoxyphenyl)urea
CID 40797086
3-[2-(2-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108900318
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
methyl 3-[(1,1-dioxothiolan-3-yl)-[2-(2-methoxyphenyl)acetyl]amino]propanoate
CID 43839716
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874622
3-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025229
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 86999965
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113121253

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea (CID 108899906) is 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)N(CCN(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is UWOZLTYGTJLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-20(2)11-12-21(16-9-13-26(23,24)14-16)18(22)19-10-8-15-6-4-5-7-17(15)25-3/h4-7,16H,8-14H2,1-3H3,(H,19,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 383.51 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).