N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide

C16H18N2O5S — CID 18093540

IUPACN-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCCN3S(C)(=O)=O)ccc12
InChIInChI=1S/C16H18N2O5S/c1-10-8-15(19)23-14-9-11(5-6-12(10)14)17-16(20)13-4-3-7-18(13)24(2,21)22/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyVXQZRBZOKHMUQN-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.46
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 18093540) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID18093540
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3CCCN3S(C)(=O)=O)ccc12
InChIInChI=1S/C16H18N2O5S/c1-10-8-15(19)23-14-9-11(5-6-12(10)14)17-16(20)13-4-3-7-18(13)24(2,21)22/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyVXQZRBZOKHMUQN-UHFFFAOYSA-N
XLogP1.46
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
CID 56845687
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 94776898
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
N-(2-oxochromen-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60522629
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
CID 94672087
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 18093540) is N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C3CCCN3S(C)(=O)=O)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VXQZRBZOKHMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-8-15(19)23-14-9-11(5-6-12(10)14)17-16(20)13-4-3-7-18(13)24(2,21)22/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,20).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18093540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).