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

C16H21N3O3S — CID 93482584

IUPAC1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-16(17-11-13-3-2-10-23-13)18-12-14(15-4-1-7-22-15)19-5-8-21-9-6-19/h1-4,7,10,14H,5-6,8-9,11-12H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyAOESYBIHEVVOKT-AWEZNQCLSA-N
MW335.43 g/mol
LogP2.21
Rot. Bonds6

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

1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 93482584) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID93482584
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NC[C@@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C16H21N3O3S/c20-16(17-11-13-3-2-10-23-13)18-12-14(15-4-1-7-22-15)19-5-8-21-9-6-19/h1-4,7,10,14H,5-6,8-9,11-12H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyAOESYBIHEVVOKT-AWEZNQCLSA-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-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244431
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167903850
1-(furan-3-ylmethyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 51083511
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea (CID 93482584) is 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NC[C@@H](c1ccco1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is AOESYBIHEVVOKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-16(17-11-13-3-2-10-23-13)18-12-14(15-4-1-7-22-15)19-5-8-21-9-6-19/h1-4,7,10,14H,5-6,8-9,11-12H2,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)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-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 93482584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).