N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

C17H22N2O5S2 — CID 113061353

IUPACN-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(N(CCNS(=O)(=O)c2ccc(C)s2)C(C)=O)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-12-5-8-17(25-12)26(21,22)18-9-10-19(13(2)20)14-6-7-15(23-3)16(11-14)24-4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyBKGYGODIFOSVSZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.41
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113061353) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
PubChem CID113061353
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(N(CCNS(=O)(=O)c2ccc(C)s2)C(C)=O)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-12-5-8-17(25-12)26(21,22)18-9-10-19(13(2)20)14-6-7-15(23-3)16(11-14)24-4/h5-8,11,18H,9-10H2,1-4H3
InChIKeyBKGYGODIFOSVSZ-UHFFFAOYSA-N
XLogP2.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113062233
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113059149
N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057949
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060265
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112994036
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060514

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (CID 113061353) is N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is COc1ccc(N(CCNS(=O)(=O)c2ccc(C)s2)C(C)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is BKGYGODIFOSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-12-5-8-17(25-12)26(21,22)18-9-10-19(13(2)20)14-6-7-15(23-3)16(11-14)24-4/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113061353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).