N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide

C20H26N2O3S2 — CID 55372961

IUPACN-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-21(16-18-7-6-14-26-18)20(23)15-17-8-10-19(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13,15-16H2,1H3
InChIKeyDZTFUTSVNPRJLC-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55372961) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55372961
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-2-21(16-18-7-6-14-26-18)20(23)15-17-8-10-19(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13,15-16H2,1H3
InChIKeyDZTFUTSVNPRJLC-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
N-[2-(diethylamino)ethyl]-4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55559916
2-[4-(azepan-1-ylsulfonyl)anilino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78795390
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307860
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
(2R)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8516869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 55372961) is N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DZTFUTSVNPRJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-2-21(16-18-7-6-14-26-18)20(23)15-17-8-10-19(11-9-17)27(24,25)22-12-4-3-5-13-22/h6-11,14H,2-5,12-13,15-16H2,1H3.
What are the key properties of N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55372961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).