N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide

C17H22N2O3S2 — CID 47006058

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C17H22N2O3S2/c1-22-16-8-3-2-7-14(16)15(19-10-4-5-11-19)13-18-24(20,21)17-9-6-12-23-17/h2-3,6-9,12,15,18H,4-5,10-11,13H2,1H3
InChIKeyQCJAJNJWROKFJL-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide (PubChem CID 47006058) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
PubChem CID47006058
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1
InChIInChI=1S/C17H22N2O3S2/c1-22-16-8-3-2-7-14(16)15(19-10-4-5-11-19)13-18-24(20,21)17-9-6-12-23-17/h2-3,6-9,12,15,18H,4-5,10-11,13H2,1H3
InChIKeyQCJAJNJWROKFJL-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 112504149
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017257
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 20962695
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide
CID 75619770
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 60529996
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 112504148

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide (CID 47006058) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide is COc1ccccc1C(CNS(=O)(=O)c1cccs1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
The InChIKey is QCJAJNJWROKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-22-16-8-3-2-7-14(16)15(19-10-4-5-11-19)13-18-24(20,21)17-9-6-12-23-17/h2-3,6-9,12,15,18H,4-5,10-11,13H2,1H3.
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47006058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).