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

C20H25N5O4S — CID 29450765

IUPAC(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1
InChIInChI=1S/C20H25N5O4S/c1-13-9-10-21-19(22-13)24-30(28,29)16-7-5-15(6-8-16)23-18(27)14-11-17(26)25(12-14)20(2,3)4/h5-10,14H,11-12H2,1-4H3,(H,23,27)(H,21,22,24)/t14-/m1/s1
InChIKeyVDQDGUPBXXONAU-CQSZACIVSA-N
MW431.52 g/mol
LogP2.17
Rot. Bonds5

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

(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 29450765) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID29450765
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1
InChIInChI=1S/C20H25N5O4S/c1-13-9-10-21-19(22-13)24-30(28,29)16-7-5-15(6-8-16)23-18(27)14-11-17(26)25(12-14)20(2,3)4/h5-10,14H,11-12H2,1-4H3,(H,23,27)(H,21,22,24)/t14-/m1/s1
InChIKeyVDQDGUPBXXONAU-CQSZACIVSA-N
XLogP2.17
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120392
1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787379
1-butyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153581
1-(2,2-dimethylpropanoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 17224394
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438332
1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 6497362
(3R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1154558
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119048
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-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99952302
1-cyclopentyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081418

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 29450765) is (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1.
What is the InChIKey of (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VDQDGUPBXXONAU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-13-9-10-21-19(22-13)24-30(28,29)16-7-5-15(6-8-16)23-18(27)14-11-17(26)25(12-14)20(2,3)4/h5-10,14H,11-12H2,1-4H3,(H,23,27)(H,21,22,24)/t14-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29450765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).