N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

C20H29N3O4S — CID 52504192

IUPACN-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-15(2)21-28(26,27)17-10-8-16(9-11-17)19(24)23-14-4-3-7-18(23)20(25)22-12-5-6-13-22/h8-11,15,18,21H,3-7,12-14H2,1-2H3/t18-/m0/s1
InChIKeyKRAYMYZZPZKVRZ-SFHVURJKSA-N
MW407.54 g/mol
LogP1.99
Rot. Bonds5

About N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide

N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 52504192) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID52504192
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-15(2)21-28(26,27)17-10-8-16(9-11-17)19(24)23-14-4-3-7-18(23)20(25)22-12-5-6-13-22/h8-11,15,18,21H,3-7,12-14H2,1-2H3/t18-/m0/s1
InChIKeyKRAYMYZZPZKVRZ-SFHVURJKSA-N
XLogP1.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26996046
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55898009
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide (CID 52504192) is N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCCC2)cc1.
What is the InChIKey of N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is KRAYMYZZPZKVRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15(2)21-28(26,27)17-10-8-16(9-11-17)19(24)23-14-4-3-7-18(23)20(25)22-12-5-6-13-22/h8-11,15,18,21H,3-7,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide?
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 52504192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).