1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea

C16H20N2O4S — CID 95630481

IUPAC1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
SMILESC[S@](=O)CCNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C16H20N2O4S/c1-23(20)9-7-17-16(19)18-14-5-2-4-13(10-14)11-21-12-15-6-3-8-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H2,17,18,19)/t23-/m0/s1
InChIKeyRCYXJKWPELXIRE-QHCPKHFHSA-N
MW336.41 g/mol
LogP2.50
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea (PubChem CID 95630481) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
PubChem CID95630481
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
SMILESC[S@](=O)CCNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C16H20N2O4S/c1-23(20)9-7-17-16(19)18-14-5-2-4-13(10-14)11-21-12-15-6-3-8-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H2,17,18,19)/t23-/m0/s1
InChIKeyRCYXJKWPELXIRE-QHCPKHFHSA-N
XLogP2.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
2-(3,4-dimethylphenoxy)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 55806817
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea (CID 95630481) is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea is C[S@](=O)CCNC(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea?
The InChIKey is RCYXJKWPELXIRE-QHCPKHFHSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-23(20)9-7-17-16(19)18-14-5-2-4-13(10-14)11-21-12-15-6-3-8-22-15/h2-6,8,10H,7,9,11-12H2,1H3,(H2,17,18,19)/t23-/m0/s1.
What are the key properties of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea?
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea has a molecular weight of 336.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea is sourced from PubChem (CID 95630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).