N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide

C17H24N2O2S2 — CID 40860865

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C17H24N2O2S2/c1-13(2)14-5-7-16(8-6-14)23(20,21)18-11-17(19(3)4)15-9-10-22-12-15/h5-10,12-13,17-18H,11H2,1-4H3/t17-/m1/s1
InChIKeyMLNDIDLUFSGUGM-QGZVFWFLSA-N
MW352.53 g/mol
LogP3.45
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 40860865) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID40860865
Molecular FormulaC17H24N2O2S2
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C17H24N2O2S2/c1-13(2)14-5-7-16(8-6-14)23(20,21)18-11-17(19(3)4)15-9-10-22-12-15/h5-10,12-13,17-18H,11H2,1-4H3/t17-/m1/s1
InChIKeyMLNDIDLUFSGUGM-QGZVFWFLSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 47031514
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860733
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860728
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-6-nitrobenzenesulfonamide
CID 47034860
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide (CID 40860865) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MLNDIDLUFSGUGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-13(2)14-5-7-16(8-6-14)23(20,21)18-11-17(19(3)4)15-9-10-22-12-15/h5-10,12-13,17-18H,11H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 352.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 40860865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).