5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C19H26N2O3S2 — CID 16933093

IUPAC5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H26N2O3S2/c1-3-15-6-7-18(24-2)19(12-15)26(22,23)20-13-17(16-8-11-25-14-16)21-9-4-5-10-21/h6-8,11-12,14,17,20H,3-5,9-10,13H2,1-2H3
InChIKeyHSIXZMCAASZUAN-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.43
Rot. Bonds8

About 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933093) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933093
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Name5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1
InChIInChI=1S/C19H26N2O3S2/c1-3-15-6-7-18(24-2)19(12-15)26(22,23)20-13-17(16-8-11-25-14-16)21-9-4-5-10-21/h6-8,11-12,14,17,20H,3-5,9-10,13H2,1-2H3
InChIKeyHSIXZMCAASZUAN-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933016
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932959
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 16933273
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(2-methoxyphenyl)methanesulfonamide
CID 16933305
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 40863927
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
CID 16933255
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29238068

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933093) is 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCC(c2ccsc2)N2CCCC2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is HSIXZMCAASZUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-3-15-6-7-18(24-2)19(12-15)26(22,23)20-13-17(16-8-11-25-14-16)21-9-4-5-10-21/h6-8,11-12,14,17,20H,3-5,9-10,13H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 394.56 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).