N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide

C18H27N3O3S — CID 42751719

IUPACN-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)19-15-8-9-17(20-10-6-7-11-20)16(14-15)18(22)21-12-4-3-5-13-21/h8-9,14,19H,2-7,10-13H2,1H3
InChIKeyUUGSIAKEOUJLAI-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.67
Rot. Bonds5

About N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide

N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide (PubChem CID 42751719) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide
PubChem CID42751719
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)19-15-8-9-17(20-10-6-7-11-20)16(14-15)18(22)21-12-4-3-5-13-21/h8-9,14,19H,2-7,10-13H2,1H3
InChIKeyUUGSIAKEOUJLAI-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
1-butyl-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 42751582
5-(ethylsulfonylamino)-2-(4-phenylpiperazin-1-yl)benzoic acid
CID 50766285
1-(3-ethylphenyl)-3-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1064188
2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 771523
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
2,2-dichloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]acetamide
CID 1063786
1-(3-ethylphenyl)-3-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]urea
CID 1065415
ethyl 4-[[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate
CID 1065179
1-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 1065193
5-(butylsulfonylamino)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751690
5-(ethylsulfonylamino)-2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 92887970

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide?
The IUPAC name of N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide (CID 42751719) is N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide?
The InChIKey is UUGSIAKEOUJLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-25(23,24)19-15-8-9-17(20-10-6-7-11-20)16(14-15)18(22)21-12-4-3-5-13-21/h8-9,14,19H,2-7,10-13H2,1H3.
What are the key properties of N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide?
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]ethanesulfonamide is sourced from PubChem (CID 42751719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).