N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide

C26H29NO5S — CID 17013639

IUPACN-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)oc2c1C
InChIInChI=1S/C26H29NO5S/c1-16(2)20-8-6-19(7-9-20)14-27(21-11-12-33(30,31)15-21)26(29)24-13-23(28)22-10-5-17(3)18(4)25(22)32-24/h5-10,13,16,21H,11-12,14-15H2,1-4H3
InChIKeyURKDOLOIXVGOHV-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.36
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide (PubChem CID 17013639) has the molecular formula C26H29NO5S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
PubChem CID17013639
Molecular FormulaC26H29NO5S
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)oc2c1C
InChIInChI=1S/C26H29NO5S/c1-16(2)20-8-6-19(7-9-20)14-27(21-11-12-33(30,31)15-21)26(29)24-13-23(28)22-10-5-17(3)18(4)25(22)32-24/h5-10,13,16,21H,11-12,14-15H2,1-4H3
InChIKeyURKDOLOIXVGOHV-UHFFFAOYSA-N
XLogP4.36
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide 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-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
CID 26818949
N-[(3S)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 26818959
N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
CID 40870893
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 40870902
N-[(4-tert-butylphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 40871155
N-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280111
5-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 17011920
6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 40871452
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 40775927
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 42278877
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818832
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 4859439

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide (CID 17013639) is N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CCS(=O)(=O)C3)oc2c1C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The InChIKey is URKDOLOIXVGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5S/c1-16(2)20-8-6-19(7-9-20)14-27(21-11-12-33(30,31)15-21)26(29)24-13-23(28)22-10-5-17(3)18(4)25(22)32-24/h5-10,13,16,21H,11-12,14-15H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 17013639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).