4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide

C17H24N2O4S2 — CID 78827659

IUPAC4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(O)COCc1cccs1
InChIInChI=1S/C17H24N2O4S2/c1-13(14-5-7-17(8-6-14)25(18,21)22)19(2)10-15(20)11-23-12-16-4-3-9-24-16/h3-9,13,15,20H,10-12H2,1-2H3,(H2,18,21,22)
InChIKeyNZBHDDNBMAVSND-UHFFFAOYSA-N
MW384.52 g/mol
LogP1.97
Rot. Bonds9

About 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide

4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide (PubChem CID 78827659) has the molecular formula C17H24N2O4S2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
PubChem CID78827659
Molecular FormulaC17H24N2O4S2
Molecular Weight384.52 g/mol
Exact Mass384.12
IUPAC Name4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(O)COCc1cccs1
InChIInChI=1S/C17H24N2O4S2/c1-13(14-5-7-17(8-6-14)25(18,21)22)19(2)10-15(20)11-23-12-16-4-3-9-24-16/h3-9,13,15,20H,10-12H2,1-2H3,(H2,18,21,22)
InChIKeyNZBHDDNBMAVSND-UHFFFAOYSA-N
XLogP1.97
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
1-[1-(4-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110885671
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1-[(4-bromophenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86976023
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 26007241
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948
2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79248985

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide (CID 78827659) is 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(O)COCc1cccs1.
What is the InChIKey of 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide?
The InChIKey is NZBHDDNBMAVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S2/c1-13(14-5-7-17(8-6-14)25(18,21)22)19(2)10-15(20)11-23-12-16-4-3-9-24-16/h3-9,13,15,20H,10-12H2,1-2H3,(H2,18,21,22).
What are the key properties of 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide?
4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide has a molecular weight of 384.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 78827659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).