N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C25H31N3O5S — CID 55630475

IUPACN-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)C1
InChIInChI=1S/C25H31N3O5S/c1-17-12-18(2)15-28(14-17)34(31,32)23-10-8-20(9-11-23)26-24(29)16-33-22-5-3-4-21(13-22)27-25(30)19-6-7-19/h3-5,8-11,13,17-19H,6-7,12,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDNECQCWJVSPNMF-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.72
Rot. Bonds8

About N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55630475) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55630475
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)C1
InChIInChI=1S/C25H31N3O5S/c1-17-12-18(2)15-28(14-17)34(31,32)23-10-8-20(9-11-23)26-24(29)16-33-22-5-3-4-21(13-22)27-25(30)19-6-7-19/h3-5,8-11,13,17-19H,6-7,12,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyDNECQCWJVSPNMF-UHFFFAOYSA-N
XLogP3.72
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 8700396
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55630475) is N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2)C1.
What is the InChIKey of N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is DNECQCWJVSPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-17-12-18(2)15-28(14-17)34(31,32)23-10-8-20(9-11-23)26-24(29)16-33-22-5-3-4-21(13-22)27-25(30)19-6-7-19/h3-5,8-11,13,17-19H,6-7,12,14-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55630475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).