N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide

C17H24N2O3S2 — CID 51281628

IUPACN,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
SMILESCc1ccsc1CN(C)CCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H24N2O3S2/c1-14-9-12-23-17(14)13-19(4)10-11-22-15-5-7-16(8-6-15)24(20,21)18(2)3/h5-9,12H,10-11,13H2,1-4H3
InChIKeyJDTLMLMNWPBQHB-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.82
Rot. Bonds8

About N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide (PubChem CID 51281628) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
PubChem CID51281628
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
SMILESCc1ccsc1CN(C)CCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H24N2O3S2/c1-14-9-12-23-17(14)13-19(4)10-11-22-15-5-7-16(8-6-15)24(20,21)18(2)3/h5-9,12H,10-11,13H2,1-4H3
InChIKeyJDTLMLMNWPBQHB-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
CID 135108529
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
3-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethylsulfonyl]benzonitrile
CID 84590117
4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55682227
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 32517776
3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652342

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide (CID 51281628) is N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide is Cc1ccsc1CN(C)CCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide?
The InChIKey is JDTLMLMNWPBQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c1-14-9-12-23-17(14)13-19(4)10-11-22-15-5-7-16(8-6-15)24(20,21)18(2)3/h5-9,12H,10-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide has a molecular weight of 368.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 51281628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).