N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide

C20H29N3O4S — CID 30767826

IUPACN-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-28(26,27)21-11-8-16-4-6-17(7-5-16)19(24)23-14-9-18(10-15-23)20(25)22-12-2-3-13-22/h4-7,18,21H,2-3,8-15H2,1H3
InChIKeyGEBVDLPZBSZYDM-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide

N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide (PubChem CID 30767826) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide
PubChem CID30767826
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-28(26,27)21-11-8-16-4-6-17(7-5-16)19(24)23-14-9-18(10-15-23)20(25)22-12-2-3-13-22/h4-7,18,21H,2-3,8-15H2,1H3
InChIKeyGEBVDLPZBSZYDM-UHFFFAOYSA-N
XLogP1.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide (CID 30767826) is N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is GEBVDLPZBSZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-28(26,27)21-11-8-16-4-6-17(7-5-16)19(24)23-14-9-18(10-15-23)20(25)22-12-2-3-13-22/h4-7,18,21H,2-3,8-15H2,1H3.
What are the key properties of N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide?
N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 30767826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).