N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide

C16H21N3O3S2 — CID 40860290

IUPACN-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C16H21N3O3S2/c1-12(20)18-14-4-6-15(7-5-14)24(21,22)17-10-16(19(2)3)13-8-9-23-11-13/h4-9,11,16-17H,10H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyQXHBHKAXPJXISP-INIZCTEOSA-N
MW367.50 g/mol
LogP2.29
Rot. Bonds7

About N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide

N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide (PubChem CID 40860290) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
PubChem CID40860290
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C16H21N3O3S2/c1-12(20)18-14-4-6-15(7-5-14)24(21,22)17-10-16(19(2)3)13-8-9-23-11-13/h4-9,11,16-17H,10H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyQXHBHKAXPJXISP-INIZCTEOSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
N-[4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16932914
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 16933314
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide (CID 40860290) is N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N(C)C)cc1.
What is the InChIKey of N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QXHBHKAXPJXISP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-12(20)18-14-4-6-15(7-5-14)24(21,22)17-10-16(19(2)3)13-8-9-23-11-13/h4-9,11,16-17H,10H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 40860290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).