N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide

C17H22N2O3S2 — CID 24552645

IUPACN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-13-7-9-15(10-8-13)24(21,22)18(3)12-17(20)19(4)14(2)16-6-5-11-23-16/h5-11,14H,12H2,1-4H3
InChIKeyOOSDLORKNZVQDM-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide

N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 24552645) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID24552645
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2cccs2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-13-7-9-15(10-8-13)24(21,22)18(3)12-17(20)19(4)14(2)16-6-5-11-23-16/h5-11,14H,12H2,1-4H3
InChIKeyOOSDLORKNZVQDM-UHFFFAOYSA-N
XLogP2.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999692
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-[2-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-(2-phenylethyl)ethanediamide
CID 16032107
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 16325898
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 16326897
N1-(thiophen-2-ylmethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16829862

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide (CID 24552645) is N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C(C)c2cccs2)cc1.
What is the InChIKey of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is OOSDLORKNZVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-13-7-9-15(10-8-13)24(21,22)18(3)12-17(20)19(4)14(2)16-6-5-11-23-16/h5-11,14H,12H2,1-4H3.
What are the key properties of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide?
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 24552645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).