(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

C16H23N3O4S — CID 9352503

IUPAC(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)19-10-12(8-14(19)20)15(21)18-9-11-4-6-13(7-5-11)24(17,22)23/h4-7,12H,8-10H2,1-3H3,(H,18,21)(H2,17,22,23)/t12-/m1/s1
InChIKeyXSOOYLTUJDAMBV-GFCCVEGCSA-N
MW353.44 g/mol
LogP0.60
Rot. Bonds4

About (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 9352503) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID9352503
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C16H23N3O4S/c1-16(2,3)19-10-12(8-14(19)20)15(21)18-9-11-4-6-13(7-5-11)24(17,22)23/h4-7,12H,8-10H2,1-3H3,(H,18,21)(H2,17,22,23)/t12-/m1/s1
InChIKeyXSOOYLTUJDAMBV-GFCCVEGCSA-N
XLogP0.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
1-tert-butyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70756271
(3R)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438277
(3S)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438279
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92613351
(3R)-1-tert-butyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97118651
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9365277

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (CID 9352503) is (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)(C)N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XSOOYLTUJDAMBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-16(2,3)19-10-12(8-14(19)20)15(21)18-9-11-4-6-13(7-5-11)24(17,22)23/h4-7,12H,8-10H2,1-3H3,(H,18,21)(H2,17,22,23)/t12-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9352503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).