1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea

C17H27N3O3S — CID 55590618

IUPAC1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c21-17(18-5-3-15-2-1-11-24-15)19-12-16(14-4-8-23-13-14)20-6-9-22-10-7-20/h1-2,11,14,16H,3-10,12-13H2,(H2,18,19,21)
InChIKeyHURXDYUFVOWKBW-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea

1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 55590618) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID55590618
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O3S/c21-17(18-5-3-15-2-1-11-24-15)19-12-16(14-4-8-23-13-14)20-6-9-22-10-7-20/h1-2,11,14,16H,3-10,12-13H2,(H2,18,19,21)
InChIKeyHURXDYUFVOWKBW-UHFFFAOYSA-N
XLogP1.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590372
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-3-pyridin-4-ylurea
CID 94030463
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
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
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 124840254

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea (CID 55590618) is 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is HURXDYUFVOWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c21-17(18-5-3-15-2-1-11-24-15)19-12-16(14-4-8-23-13-14)20-6-9-22-10-7-20/h1-2,11,14,16H,3-10,12-13H2,(H2,18,19,21).
What are the key properties of 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea?
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 353.49 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 55590618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).