N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide

C20H26N2O3S2 — CID 166207254

IUPACN-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2Cc2ccccc2C)s1
InChIInChI=1S/C20H26N2O3S2/c1-15-6-3-4-7-17(15)14-18-8-5-13-22(18)27(24,25)20-10-9-19(26-20)11-12-21-16(2)23/h3-4,6-7,9-10,18H,5,8,11-14H2,1-2H3,(H,21,23)
InChIKeyXKQQTCQVLKOWRK-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide (PubChem CID 166207254) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
PubChem CID166207254
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2Cc2ccccc2C)s1
InChIInChI=1S/C20H26N2O3S2/c1-15-6-3-4-7-17(15)14-18-8-5-13-22(18)27(24,25)20-10-9-19(26-20)11-12-21-16(2)23/h3-4,6-7,9-10,18H,5,8,11-14H2,1-2H3,(H,21,23)
InChIKeyXKQQTCQVLKOWRK-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
(2R,3R)-1-[5-(2-acetamidoethyl)thiophen-2-yl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105300
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
CID 120764100
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
CID 60561135

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide (CID 166207254) is N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2Cc2ccccc2C)s1.
What is the InChIKey of N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The InChIKey is XKQQTCQVLKOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15-6-3-4-7-17(15)14-18-8-5-13-22(18)27(24,25)20-10-9-19(26-20)11-12-21-16(2)23/h3-4,6-7,9-10,18H,5,8,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 166207254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).