2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

C19H27N3O3S2 — CID 16932948

IUPAC2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C19H27N3O3S2/c1-15-4-5-18(25-3)19(12-15)27(23,24)20-13-17(16-6-11-26-14-16)22-9-7-21(2)8-10-22/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3
InChIKeyBJAFGWQLDKRVHW-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.33
Rot. Bonds7

About 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 16932948) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID16932948
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C19H27N3O3S2/c1-15-4-5-18(25-3)19(12-15)27(23,24)20-13-17(16-6-11-26-14-16)22-9-7-21(2)8-10-22/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3
InChIKeyBJAFGWQLDKRVHW-UHFFFAOYSA-N
XLogP2.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (CID 16932948) is 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC(c1ccsc1)N1CCN(C)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is BJAFGWQLDKRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-15-4-5-18(25-3)19(12-15)27(23,24)20-13-17(16-6-11-26-14-16)22-9-7-21(2)8-10-22/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 409.58 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).