N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide

C15H18N2O3S2 — CID 95342586

IUPACN-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(12-5-3-7-14(9-12)22(16,19)20)17(2)15(18)10-13-6-4-8-21-13/h3-9,11H,10H2,1-2H3,(H2,16,19,20)/t11-/m0/s1
InChIKeyBIYDWMAQSFTHFT-NSHDSACASA-N
MW338.45 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide

N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 95342586) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID95342586
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(12-5-3-7-14(9-12)22(16,19)20)17(2)15(18)10-13-6-4-8-21-13/h3-9,11H,10H2,1-2H3,(H2,16,19,20)/t11-/m0/s1
InChIKeyBIYDWMAQSFTHFT-NSHDSACASA-N
XLogP2.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
2-[[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146134889

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 95342586) is N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide is C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BIYDWMAQSFTHFT-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11(12-5-3-7-14(9-12)22(16,19)20)17(2)15(18)10-13-6-4-8-21-13/h3-9,11H,10H2,1-2H3,(H2,16,19,20)/t11-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95342586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).