N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H30N2O3S — CID 90609012

IUPACN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccc(C2CCCN2CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H30N2O3S/c1-28-21-11-8-19(9-12-21)23-7-4-15-25(23)16-14-24-29(26,27)22-13-10-18-5-2-3-6-20(18)17-22/h8-13,17,23-24H,2-7,14-16H2,1H3
InChIKeySBMSRKGOGGDZIW-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90609012) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90609012
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ccc(C2CCCN2CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H30N2O3S/c1-28-21-11-8-19(9-12-21)23-7-4-15-25(23)16-14-24-29(26,27)22-13-10-18-5-2-3-6-20(18)17-22/h8-13,17,23-24H,2-7,14-16H2,1H3
InChIKeySBMSRKGOGGDZIW-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 90608958
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609083
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 90608973
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16826007
N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
N-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 35592625
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53090291
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90609012) is N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1ccc(C2CCCN2CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is SBMSRKGOGGDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-28-21-11-8-19(9-12-21)23-7-4-15-25(23)16-14-24-29(26,27)22-13-10-18-5-2-3-6-20(18)17-22/h8-13,17,23-24H,2-7,14-16H2,1H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90609012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).