N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide

C18H22N4O4S — CID 135963675

IUPACN-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2ccccc2NS(C)(=O)=O)n1
InChIInChI=1S/C18H22N4O4S/c1-3-12-11-16(23)20-17(19-12)15-9-6-10-22(15)18(24)13-7-4-5-8-14(13)21-27(2,25)26/h4-5,7-8,11,15,21H,3,6,9-10H2,1-2H3,(H,19,20,23)/t15-/m1/s1
InChIKeyWAFDCUSVPJEWPD-OAHLLOKOSA-N
MW390.47 g/mol
LogP1.68
Rot. Bonds5

About N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide

N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 135963675) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID135963675
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2ccccc2NS(C)(=O)=O)n1
InChIInChI=1S/C18H22N4O4S/c1-3-12-11-16(23)20-17(19-12)15-9-6-10-22(15)18(24)13-7-4-5-8-14(13)21-27(2,25)26/h4-5,7-8,11,15,21H,3,6,9-10H2,1-2H3,(H,19,20,23)/t15-/m1/s1
InChIKeyWAFDCUSVPJEWPD-OAHLLOKOSA-N
XLogP1.68
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide (CID 135963675) is N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide is CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2ccccc2NS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is WAFDCUSVPJEWPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-12-11-16(23)20-17(19-12)15-9-6-10-22(15)18(24)13-7-4-5-8-14(13)21-27(2,25)26/h4-5,7-8,11,15,21H,3,6,9-10H2,1-2H3,(H,19,20,23)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 135963675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).