N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C17H24N2O3S2 — CID 16932758

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H24N2O3S2/c1-12-8-16(22-5)17(9-13(12)2)24(20,21)18-10-15(19(3)4)14-6-7-23-11-14/h6-9,11,15,18H,10H2,1-5H3
InChIKeyWYTDLOSSXDVRSP-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 16932758) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID16932758
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C17H24N2O3S2/c1-12-8-16(22-5)17(9-13(12)2)24(20,21)18-10-15(19(3)4)14-6-7-23-11-14/h6-9,11,15,18H,10H2,1-5H3
InChIKeyWYTDLOSSXDVRSP-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 16932758) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is WYTDLOSSXDVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-12-8-16(22-5)17(9-13(12)2)24(20,21)18-10-15(19(3)4)14-6-7-23-11-14/h6-9,11,15,18H,10H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 368.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 16932758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).