N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide

C17H24N2O3S2 — CID 112503236

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H24N2O3S2/c1-13(2)22-14-7-9-15(10-8-14)24(20,21)18-12-16(19(3)4)17-6-5-11-23-17/h5-11,13,16,18H,12H2,1-4H3
InChIKeyLDHZQHQUFXUIPF-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112503236) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID112503236
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C17H24N2O3S2/c1-13(2)22-14-7-9-15(10-8-14)24(20,21)18-12-16(19(3)4)17-6-5-11-23-17/h5-11,13,16,18H,12H2,1-4H3
InChIKeyLDHZQHQUFXUIPF-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621531
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide (CID 112503236) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is LDHZQHQUFXUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-13(2)22-14-7-9-15(10-8-14)24(20,21)18-12-16(19(3)4)17-6-5-11-23-17/h5-11,13,16,18H,12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 368.52 g/mol, XLogP of 3.12, 8 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-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112503236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).