2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide

C20H26N2O3S2 — CID 53112401

IUPAC2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15-3-5-17(6-4-15)13-19(23)21-14-18-7-8-20(26-18)27(24,25)22-11-9-16(2)10-12-22/h3-8,16H,9-14H2,1-2H3,(H,21,23)
InChIKeyKWWDGJXQJFAQMO-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.34
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide

2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 53112401) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID53112401
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15-3-5-17(6-4-15)13-19(23)21-14-18-7-8-20(26-18)27(24,25)22-11-9-16(2)10-12-22/h3-8,16H,9-14H2,1-2H3,(H,21,23)
InChIKeyKWWDGJXQJFAQMO-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-2-phenoxyacetamide
CID 53112400
5-bromo-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]pyridine-3-carboxamide
CID 53112382
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
3-(4-ethylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 32752038
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide (CID 53112401) is 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is KWWDGJXQJFAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15-3-5-17(6-4-15)13-19(23)21-14-18-7-8-20(26-18)27(24,25)22-11-9-16(2)10-12-22/h3-8,16H,9-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide?
2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 53112401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).