N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide

C23H23NO6S — CID 41009923

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide
SMILESCc1c(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4
InChIInChI=1S/C23H23NO6S/c1-13-15(6-7-22(25)24-14-8-9-31(27,28)12-14)23(26)30-20-11-21-18(10-17(13)20)16-4-2-3-5-19(16)29-21/h8-11,14H,2-7,12H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyUTOAMLWKNVQOFY-CQSZACIVSA-N
MW441.51 g/mol
LogP3.09
Rot. Bonds4

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide (PubChem CID 41009923) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide
PubChem CID41009923
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide
SMILESCc1c(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4
InChIInChI=1S/C23H23NO6S/c1-13-15(6-7-22(25)24-14-8-9-31(27,28)12-14)23(26)30-20-11-21-18(10-17(13)20)16-4-2-3-5-19(16)29-21/h8-11,14H,2-7,12H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyUTOAMLWKNVQOFY-CQSZACIVSA-N
XLogP3.09
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide 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

N-(3-methoxypropyl)-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide
CID 4869784
3-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]benzoic acid
CID 71584028
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 40961301
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 40816550
N-(2-methoxyethyl)-2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetamide
CID 4967923
(2S)-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoic acid
CID 6851207
2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]butanoic acid
CID 3327050
3-benzyl-4-methyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
CID 707762
3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 95125841
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3848129
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74248920
1-[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]piperidine-2-carboxylic acid
CID 4593784

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide (CID 41009923) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide is Cc1c(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide?
The InChIKey is UTOAMLWKNVQOFY-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-13-15(6-7-22(25)24-14-8-9-31(27,28)12-14)23(26)30-20-11-21-18(10-17(13)20)16-4-2-3-5-19(16)29-21/h8-11,14H,2-7,12H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide has a molecular weight of 441.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanamide is sourced from PubChem (CID 41009923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).