N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C24H34N4O3S2 — CID 24643649

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)cc2C)CC1
InChIInChI=1S/C24H34N4O3S2/c1-4-26-12-14-27(15-13-26)22-9-8-21(16-18(22)2)25-24(29)20-6-5-11-28(17-20)33(30,31)23-10-7-19(3)32-23/h7-10,16,20H,4-6,11-15,17H2,1-3H3,(H,25,29)
InChIKeyMSEKOMDRQCJWQR-UHFFFAOYSA-N
MW490.70 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 24643649) has the molecular formula C24H34N4O3S2 and a molecular weight of 490.70 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID24643649
Molecular FormulaC24H34N4O3S2
Molecular Weight490.70 g/mol
Exact Mass490.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)cc2C)CC1
InChIInChI=1S/C24H34N4O3S2/c1-4-26-12-14-27(15-13-26)22-9-8-21(16-18(22)2)25-24(29)20-6-5-11-28(17-20)33(30,31)23-10-7-19(3)32-23/h7-10,16,20H,4-6,11-15,17H2,1-3H3,(H,25,29)
InChIKeyMSEKOMDRQCJWQR-UHFFFAOYSA-N
XLogP3.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 53.55
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-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
N-(4-methyl-3-nitrophenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641393
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24525568
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46424838
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]cyclohex-3-ene-1-carboxamide
CID 24525499

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 24643649) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is CCN1CCN(c2ccc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(C)s4)C3)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is MSEKOMDRQCJWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S2/c1-4-26-12-14-27(15-13-26)22-9-8-21(16-18(22)2)25-24(29)20-6-5-11-28(17-20)33(30,31)23-10-7-19(3)32-23/h7-10,16,20H,4-6,11-15,17H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 490.70 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24643649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).