N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide

C18H25N3O4S — CID 55634285

IUPACN-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O4S/c22-17(13-20-18(23)15-6-7-15)19-12-14-4-8-16(9-5-14)26(24,25)21-10-2-1-3-11-21/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,22)(H,20,23)
InChIKeyVDZVPJBTOAHXPU-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.00
Rot. Bonds7

About N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 55634285) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID55634285
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O4S/c22-17(13-20-18(23)15-6-7-15)19-12-14-4-8-16(9-5-14)26(24,25)21-10-2-1-3-11-21/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,22)(H,20,23)
InChIKeyVDZVPJBTOAHXPU-UHFFFAOYSA-N
XLogP1.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
CID 41064753
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 55634285) is N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VDZVPJBTOAHXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-17(13-20-18(23)15-6-7-15)19-12-14-4-8-16(9-5-14)26(24,25)21-10-2-1-3-11-21/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 55634285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).