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

C26H29NO5S — CID 26818949

IUPACN-[(3R)-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)[C@@H]3CCS(=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/t21-/m1/s1
InChIKeyURKDOLOIXVGOHV-OAQYLSRUSA-N
MW467.59 g/mol
LogP4.36
Rot. Bonds5

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

N-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide (PubChem CID 26818949) has the molecular formula C26H29NO5S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
PubChem CID26818949
Molecular FormulaC26H29NO5S
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC NameN-[(3R)-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)[C@@H]3CCS(=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/t21-/m1/s1
InChIKeyURKDOLOIXVGOHV-OAQYLSRUSA-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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide
CID 17013639
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-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide (CID 26818949) is N-[(3R)-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-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The canonical SMILES for N-[(3R)-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)[C@@H]3CCS(=O)(=O)C3)oc2c1C.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
The InChIKey is URKDOLOIXVGOHV-OAQYLSRUSA-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/t21-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide?
N-[(3R)-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-[(3R)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 26818949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).