N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H25N3O5S — CID 100662278

IUPACN-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc2c1CCN(C(=O)Nc1cccc(COCc3ccco3)c1)C2
InChIInChI=1S/C23H25N3O5S/c1-32(28,29)25-22-9-3-6-18-14-26(11-10-21(18)22)23(27)24-19-7-2-5-17(13-19)15-30-16-20-8-4-12-31-20/h2-9,12-13,25H,10-11,14-16H2,1H3,(H,24,27)
InChIKeyZAOJZHQENUJYCZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.96
Rot. Bonds7

About N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 100662278) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID100662278
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc2c1CCN(C(=O)Nc1cccc(COCc3ccco3)c1)C2
InChIInChI=1S/C23H25N3O5S/c1-32(28,29)25-22-9-3-6-18-14-26(11-10-21(18)22)23(27)24-19-7-2-5-17(13-19)15-30-16-20-8-4-12-31-20/h2-9,12-13,25H,10-11,14-16H2,1H3,(H,24,27)
InChIKeyZAOJZHQENUJYCZ-UHFFFAOYSA-N
XLogP3.96
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51085468
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2-(cyclopropanecarbonyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 102563648
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
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(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321201
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CID 51085460
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55819679
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CID 95630481
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 100662278) is N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CS(=O)(=O)Nc1cccc2c1CCN(C(=O)Nc1cccc(COCc3ccco3)c1)C2.
What is the InChIKey of N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is ZAOJZHQENUJYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-32(28,29)25-22-9-3-6-18-14-26(11-10-21(18)22)23(27)24-19-7-2-5-17(13-19)15-30-16-20-8-4-12-31-20/h2-9,12-13,25H,10-11,14-16H2,1H3,(H,24,27).
What are the key properties of N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxymethyl)phenyl]-5-(methanesulfonamido)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 100662278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).