(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

C19H29N3O4S — CID 7438332

IUPAC(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O4S/c1-6-13(2)21-27(25,26)16-9-7-15(8-10-16)20-18(24)14-11-17(23)22(12-14)19(3,4)5/h7-10,13-14,21H,6,11-12H2,1-5H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyYPOPHTYRFPOCSW-KBPBESRZSA-N
MW395.53 g/mol
LogP2.35
Rot. Bonds6

About (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 7438332) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID7438332
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O4S/c1-6-13(2)21-27(25,26)16-9-7-15(8-10-16)20-18(24)14-11-17(23)22(12-14)19(3,4)5/h7-10,13-14,21H,6,11-12H2,1-5H3,(H,20,24)/t13-,14-/m0/s1
InChIKeyYPOPHTYRFPOCSW-KBPBESRZSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40634791
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 6497362
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497336
1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17081244
1-tert-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497373
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 40964063
(3R)-1-tert-butyl-N-[4-methyl-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92613386
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 7438332) is (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1.
What is the InChIKey of (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPOPHTYRFPOCSW-KBPBESRZSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-6-13(2)21-27(25,26)16-9-7-15(8-10-16)20-18(24)14-11-17(23)22(12-14)19(3,4)5/h7-10,13-14,21H,6,11-12H2,1-5H3,(H,20,24)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7438332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).