N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide

C17H20N2O3S — CID 51085468

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)N1CCSCC1
InChIInChI=1S/C17H20N2O3S/c20-17(19-6-9-23-10-7-19)18-15-4-1-3-14(11-15)12-21-13-16-5-2-8-22-16/h1-5,8,11H,6-7,9-10,12-13H2,(H,18,20)
InChIKeyAHYXXDXAAMQQCI-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.58
Rot. Bonds5

About N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 51085468) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
PubChem CID51085468
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)N1CCSCC1
InChIInChI=1S/C17H20N2O3S/c20-17(19-6-9-23-10-7-19)18-15-4-1-3-14(11-15)12-21-13-16-5-2-8-22-16/h1-5,8,11H,6-7,9-10,12-13H2,(H,18,20)
InChIKeyAHYXXDXAAMQQCI-UHFFFAOYSA-N
XLogP3.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55820320
2-(cyclopropanecarbonyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 102563648
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55819679
N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100662278
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321201
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide (CID 51085468) is N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide is O=C(Nc1cccc(COCc2ccco2)c1)N1CCSCC1.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is AHYXXDXAAMQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(19-6-9-23-10-7-19)18-15-4-1-3-14(11-15)12-21-13-16-5-2-8-22-16/h1-5,8,11H,6-7,9-10,12-13H2,(H,18,20).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 51085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).