2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

C19H27N3O4S2 — CID 16932959

IUPAC2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C19H27N3O4S2/c1-21-7-9-22(10-8-21)17(15-6-11-27-14-15)13-20-28(23,24)19-5-4-16(25-2)12-18(19)26-3/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3
InChIKeyDRKDYXXWCJZYCU-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.03
Rot. Bonds8

About 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 16932959) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID16932959
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC Name2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C19H27N3O4S2/c1-21-7-9-22(10-8-21)17(15-6-11-27-14-15)13-20-28(23,24)19-5-4-16(25-2)12-18(19)26-3/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3
InChIKeyDRKDYXXWCJZYCU-UHFFFAOYSA-N
XLogP2.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933016
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578235
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933093
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 29237280
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932983
5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
4-methoxy-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 16812930
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (CID 16932959) is 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is DRKDYXXWCJZYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-21-7-9-22(10-8-21)17(15-6-11-27-14-15)13-20-28(23,24)19-5-4-16(25-2)12-18(19)26-3/h4-6,11-12,14,17,20H,7-10,13H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 425.58 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16932959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).