2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C18H24N2O4S2 — CID 16933016

IUPAC2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(11-15)26(21,22)19-12-16(14-7-10-25-13-14)20-8-3-4-9-20/h5-7,10-11,13,16,19H,3-4,8-9,12H2,1-2H3
InChIKeyCIRZFADALGOZIC-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.88
Rot. Bonds8

About 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933016) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933016
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(11-15)26(21,22)19-12-16(14-7-10-25-13-14)20-8-3-4-9-20/h5-7,10-11,13,16,19H,3-4,8-9,12H2,1-2H3
InChIKeyCIRZFADALGOZIC-UHFFFAOYSA-N
XLogP2.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933093
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932959
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578235
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
2,5-dimethoxy-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828601
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 55681910
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068
2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5-nitrobenzenesulfonamide
CID 46457579
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933016) is 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is CIRZFADALGOZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(11-15)26(21,22)19-12-16(14-7-10-25-13-14)20-8-3-4-9-20/h5-7,10-11,13,16,19H,3-4,8-9,12H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).