2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide

C21H23N3O4S — CID 42945932

IUPAC2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide
SMILESCOc1ccc2cc(C(C)C(=O)NCc3cccc(NS(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C21H23N3O4S/c1-14(16-6-7-18-12-20(28-2)9-8-17(18)11-16)21(25)23-13-15-4-3-5-19(10-15)24-29(22,26)27/h3-12,14,24H,13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyUWUBOTAQVPBKJQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.88
Rot. Bonds7

About 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide

2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide (PubChem CID 42945932) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide
PubChem CID42945932
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide
SMILESCOc1ccc2cc(C(C)C(=O)NCc3cccc(NS(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C21H23N3O4S/c1-14(16-6-7-18-12-20(28-2)9-8-17(18)11-16)21(25)23-13-15-4-3-5-19(10-15)24-29(22,26)27/h3-12,14,24H,13H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyUWUBOTAQVPBKJQ-UHFFFAOYSA-N
XLogP2.88
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25316643
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
[2-(6-methoxynaphthalen-2-yl)propanoylamino]methyl methanesulfonate
CID 18682703
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9470322
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide (CID 42945932) is 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide is COc1ccc2cc(C(C)C(=O)NCc3cccc(NS(N)(=O)=O)c3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide?
The InChIKey is UWUBOTAQVPBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14(16-6-7-18-12-20(28-2)9-8-17(18)11-16)21(25)23-13-15-4-3-5-19(10-15)24-29(22,26)27/h3-12,14,24H,13H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide?
2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide has a molecular weight of 413.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-N-[[3-(sulfamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 42945932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).