N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C19H28N4O4S — CID 55960086

IUPACN-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-2-28(26,27)21-17-7-5-16(6-8-17)20-18(24)15-9-13-23(14-10-15)19(25)22-11-3-4-12-22/h5-8,15,21H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyMHYJWJQAUQEAON-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.31
Rot. Bonds5

About N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55960086) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55960086
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-2-28(26,27)21-17-7-5-16(6-8-17)20-18(24)15-9-13-23(14-10-15)19(25)22-11-3-4-12-22/h5-8,15,21H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyMHYJWJQAUQEAON-UHFFFAOYSA-N
XLogP2.31
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55960086) is N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is MHYJWJQAUQEAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-2-28(26,27)21-17-7-5-16(6-8-17)20-18(24)15-9-13-23(14-10-15)19(25)22-11-3-4-12-22/h5-8,15,21H,2-4,9-14H2,1H3,(H,20,24).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55960086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).