1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea

C13H16N2O3S — CID 99876553

IUPAC1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCO[C@@H](CNC(=O)NCc1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-17-12(11-5-2-6-18-11)9-15-13(16)14-8-10-4-3-7-19-10/h2-7,12H,8-9H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyRXYJNIPNVGHDAO-LBPRGKRZSA-N
MW280.35 g/mol
LogP2.53
Rot. Bonds6

About 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea

1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 99876553) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID99876553
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCO[C@@H](CNC(=O)NCc1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-17-12(11-5-2-6-18-11)9-15-13(16)14-8-10-4-3-7-19-10/h2-7,12H,8-9H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyRXYJNIPNVGHDAO-LBPRGKRZSA-N
XLogP2.53
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244431
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
CID 111503737
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea (CID 99876553) is 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea is CO[C@@H](CNC(=O)NCc1cccs1)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is RXYJNIPNVGHDAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-12(11-5-2-6-18-11)9-15-13(16)14-8-10-4-3-7-19-10/h2-7,12H,8-9H2,1H3,(H2,14,15,16)/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 280.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 99876553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).