N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C22H29N3O4S2 — CID 55615309

IUPACN-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3C)C2)s1
InChIInChI=1S/C22H29N3O4S2/c1-16-14-19(24-10-12-29-13-11-24)6-7-20(16)23-22(26)18-4-3-9-25(15-18)31(27,28)21-8-5-17(2)30-21/h5-8,14,18H,3-4,9-13,15H2,1-2H3,(H,23,26)
InChIKeyLFFKZIOVIFFOOB-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.24
Rot. Bonds5

About N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 55615309) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID55615309
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC NameN-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3C)C2)s1
InChIInChI=1S/C22H29N3O4S2/c1-16-14-19(24-10-12-29-13-11-24)6-7-20(16)23-22(26)18-4-3-9-25(15-18)31(27,28)21-8-5-17(2)30-21/h5-8,14,18H,3-4,9-13,15H2,1-2H3,(H,23,26)
InChIKeyLFFKZIOVIFFOOB-UHFFFAOYSA-N
XLogP3.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
N-(2,4-dimethylphenyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552749
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26424229
methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24643102
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
(3S)-N-(4-morpholin-4-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41083967
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 55615309) is N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(N4CCOCC4)cc3C)C2)s1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is LFFKZIOVIFFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-16-14-19(24-10-12-29-13-11-24)6-7-20(16)23-22(26)18-4-3-9-25(15-18)31(27,28)21-8-5-17(2)30-21/h5-8,14,18H,3-4,9-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55615309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).