(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H29N3O4S — CID 92613386

IUPAC(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H29N3O4S/c1-12(2)21-27(25,26)16-10-15(8-7-13(16)3)20-18(24)14-9-17(23)22(11-14)19(4,5)6/h7-8,10,12,14,21H,9,11H2,1-6H3,(H,20,24)/t14-/m1/s1
InChIKeyPUVQAWSGSLNNCW-CQSZACIVSA-N
MW395.53 g/mol
LogP2.27
Rot. Bonds5

About (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92613386) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92613386
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H29N3O4S/c1-12(2)21-27(25,26)16-10-15(8-7-13(16)3)20-18(24)14-9-17(23)22(11-14)19(4,5)6/h7-8,10,12,14,21H,9,11H2,1-6H3,(H,20,24)/t14-/m1/s1
InChIKeyPUVQAWSGSLNNCW-CQSZACIVSA-N
XLogP2.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438332
1-tert-butyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572293
1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 6497362
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
(3S)-1-tert-butyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 92612262
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17081244
1-tert-butyl-5-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497371
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 108762046
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92613386) is (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PUVQAWSGSLNNCW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-12(2)21-27(25,26)16-10-15(8-7-13(16)3)20-18(24)14-9-17(23)22(11-14)19(4,5)6/h7-8,10,12,14,21H,9,11H2,1-6H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92613386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).