N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide

C20H22N2O4S — CID 119037539

IUPACN-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCC(C)S(=O)CC1)oc1ccccc12
InChIInChI=1S/C20H22N2O4S/c1-13-7-8-22(9-10-27(13)24)20(23)21-16-12-18-15(11-19(16)25-2)14-5-3-4-6-17(14)26-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)
InChIKeyWIIGZCUTZGEQNI-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.97
Rot. Bonds2

About N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide

N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide (PubChem CID 119037539) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
PubChem CID119037539
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCC(C)S(=O)CC1)oc1ccccc12
InChIInChI=1S/C20H22N2O4S/c1-13-7-8-22(9-10-27(13)24)20(23)21-16-12-18-15(11-19(16)25-2)14-5-3-4-6-17(14)26-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)
InChIKeyWIIGZCUTZGEQNI-UHFFFAOYSA-N
XLogP3.97
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide with MolForge

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
CID 46680459
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 11874668
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 52775307
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 86910638
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 4833196
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide (CID 119037539) is N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide is COc1cc2c(cc1NC(=O)N1CCC(C)S(=O)CC1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The InChIKey is WIIGZCUTZGEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-7-8-22(9-10-27(13)24)20(23)21-16-12-18-15(11-19(16)25-2)14-5-3-4-6-17(14)26-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 119037539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).