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

C17H22N2O5S2 — CID 112994036

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-12-4-7-17(25-12)26(21,22)19-11-16(20)18-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyAIJQAYFALXZPIF-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.71
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (PubChem CID 112994036) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
PubChem CID112994036
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCOc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-12-4-7-17(25-12)26(21,22)19-11-16(20)18-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyAIJQAYFALXZPIF-UHFFFAOYSA-N
XLogP1.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 3341221
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4786393
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
N-(3,4-dimethoxyphenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 112999325
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (CID 112994036) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C)s2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is AIJQAYFALXZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-12-4-7-17(25-12)26(21,22)19-11-16(20)18-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10,19H,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 112994036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).