N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C18H25N3O3S2 — CID 46522932

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NCC(c1cccs1)N(C)C)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S2/c1-14-8-5-6-9-15(14)21(26(4,23)24)13-18(22)19-12-16(20(2)3)17-10-7-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22)
InChIKeyZRZMBVDPERLJBY-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.24
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 46522932) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID46522932
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)NCC(c1cccs1)N(C)C)S(C)(=O)=O
InChIInChI=1S/C18H25N3O3S2/c1-14-8-5-6-9-15(14)21(26(4,23)24)13-18(22)19-12-16(20(2)3)17-10-7-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22)
InChIKeyZRZMBVDPERLJBY-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 51864935
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508465
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 46522932) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)NCC(c1cccs1)N(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ZRZMBVDPERLJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-14-8-5-6-9-15(14)21(26(4,23)24)13-18(22)19-12-16(20(2)3)17-10-7-11-25-17/h5-11,16H,12-13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.24, 8 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]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 46522932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).