1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C17H27N3O3S — CID 55792498

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCc1ccsc1CNC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c1-13-3-9-24-16(13)11-19-17(21)18-10-15(14-2-6-23-12-14)20-4-7-22-8-5-20/h3,9,14-15H,2,4-8,10-12H2,1H3,(H2,18,19,21)
InChIKeyVVVJEPKZFHLVAZ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.59
Rot. Bonds6

About 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55792498) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55792498
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESCc1ccsc1CNC(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c1-13-3-9-24-16(13)11-19-17(21)18-10-15(14-2-6-23-12-14)20-4-7-22-8-5-20/h3,9,14-15H,2,4-8,10-12H2,1H3,(H2,18,19,21)
InChIKeyVVVJEPKZFHLVAZ-UHFFFAOYSA-N
XLogP1.59
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
1-[(6-methoxy-3-pyridinyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
CID 94057278
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 42942600
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55792498) is 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is Cc1ccsc1CNC(=O)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is VVVJEPKZFHLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-3-9-24-16(13)11-19-17(21)18-10-15(14-2-6-23-12-14)20-4-7-22-8-5-20/h3,9,14-15H,2,4-8,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 353.49 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).