N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H29N3O3S2 — CID 4808890

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3cccs3)N(C)C)CC2)cc1
InChIInChI=1S/C21H29N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)24-12-10-17(11-13-24)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,17,19H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyYDAWSAPDTOIANP-UHFFFAOYSA-N
MW435.62 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 4808890) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID4808890
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3cccs3)N(C)C)CC2)cc1
InChIInChI=1S/C21H29N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)24-12-10-17(11-13-24)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,17,19H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyYDAWSAPDTOIANP-UHFFFAOYSA-N
XLogP2.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504371
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 52909184
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 35060631
(3S)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 35060642
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 4808890) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3cccs3)N(C)C)CC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YDAWSAPDTOIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)24-12-10-17(11-13-24)21(25)22-15-19(23(2)3)20-5-4-14-28-20/h4-9,14,17,19H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 435.62 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4808890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).