[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C23H27NO5S — CID 70026257

IUPAC[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCCOCC=CCC1Oc2cccc(OC)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C23H27NO5S/c1-3-4-13-28-14-6-5-8-20-19-15-17(16-30(24,25)26)11-12-18(19)23-21(27-2)9-7-10-22(23)29-20/h3,5-7,9-12,15,20H,1,4,8,13-14,16H2,2H3,(H2,24,25,26)
InChIKeyNTEAFVVALMIMGW-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.12
Rot. Bonds10

About [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 70026257) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID70026257
Molecular FormulaC23H27NO5S
Molecular Weight429.54 g/mol
Exact Mass429.16
IUPAC Name[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCCOCC=CCC1Oc2cccc(OC)c2-c2ccc(CS(N)(=O)=O)cc21
InChIInChI=1S/C23H27NO5S/c1-3-4-13-28-14-6-5-8-20-19-15-17(16-30(24,25)26)11-12-18(19)23-21(27-2)9-7-10-22(23)29-20/h3,5-7,9-12,15,20H,1,4,8,13-14,16H2,2H3,(H2,24,25,26)
InChIKeyNTEAFVVALMIMGW-UHFFFAOYSA-N
XLogP4.12
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-1-methoxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18504040
(1-ethylsulfonyl-6-prop-2-enyl-6H-benzo[c]chromen-8-yl)methanesulfonamide
CID 18189437
[1-methoxy-6-(3-prop-2-enoxyphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188579
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
[6-[3-[(E)-3-bromoprop-2-enoxy]phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188574
[1-methoxy-6-(3-methoxyphenyl)-2-(2-prop-2-enoxyethoxy)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188771
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
[1-(difluoromethoxy)-2-hydroxy-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188692
ethyl 3-[4-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoate
CID 18188838
[1-(difluoromethoxy)-6-[3-[(E)-4-methoxybut-2-enoxy]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189041
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504052
[6-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189093

Frequently Asked Questions

What is the IUPAC name of [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 70026257) is [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCCOCC=CCC1Oc2cccc(OC)c2-c2ccc(CS(N)(=O)=O)cc21.
What is the InChIKey of [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is NTEAFVVALMIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-3-4-13-28-14-6-5-8-20-19-15-17(16-30(24,25)26)11-12-18(19)23-21(27-2)9-7-10-22(23)29-20/h3,5-7,9-12,15,20H,1,4,8,13-14,16H2,2H3,(H2,24,25,26).
What are the key properties of [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-but-3-enoxybut-2-enyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 70026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).