2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide

C17H23N3O3S2 — CID 47010656

IUPAC2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C17H23N3O3S2/c1-13(14-5-7-16(8-6-14)25(18,22)23)20(2)12-17(21)19-10-9-15-4-3-11-24-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyJPGUGHKTENMPCG-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.75
Rot. Bonds8

About 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide

2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 47010656) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID47010656
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCCc1cccs1
InChIInChI=1S/C17H23N3O3S2/c1-13(14-5-7-16(8-6-14)25(18,22)23)20(2)12-17(21)19-10-9-15-4-3-11-24-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyJPGUGHKTENMPCG-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 78817666
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
CID 78827659
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 47011067
2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 134022655
2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)acetamide
CID 47207166
N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46809997
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46808314

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide (CID 47010656) is 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is JPGUGHKTENMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13(14-5-7-16(8-6-14)25(18,22)23)20(2)12-17(21)19-10-9-15-4-3-11-24-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 47010656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).