1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

C16H21N3O3S — CID 51083511

IUPAC1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCc1ccoc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-16(17-10-13-3-6-22-12-13)18-11-14(15-2-1-9-23-15)19-4-7-21-8-5-19/h1-3,6,9,12,14H,4-5,7-8,10-11H2,(H2,17,18,20)
InChIKeyUVILCHDAYJPMDO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.21
Rot. Bonds6

About 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (PubChem CID 51083511) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
PubChem CID51083511
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESO=C(NCc1ccoc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-16(17-10-13-3-6-22-12-13)18-11-14(15-2-1-9-23-15)19-4-7-21-8-5-19/h1-3,6,9,12,14H,4-5,7-8,10-11H2,(H2,17,18,20)
InChIKeyUVILCHDAYJPMDO-UHFFFAOYSA-N
XLogP2.21
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
1-[(4-fluorophenyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 51291099
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86882100
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (CID 51083511) is 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is O=C(NCc1ccoc1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The InChIKey is UVILCHDAYJPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-16(17-10-13-3-6-22-12-13)18-11-14(15-2-1-9-23-15)19-4-7-21-8-5-19/h1-3,6,9,12,14H,4-5,7-8,10-11H2,(H2,17,18,20).
What are the key properties of 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea has a molecular weight of 335.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 51083511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).