N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide

C16H20ClNO4S2 — CID 91631044

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNO4S2/c1-21-13-5-3-12(4-6-13)9-10-24(19,20)18-11-14(22-2)15-7-8-16(17)23-15/h3-8,14,18H,9-11H2,1-2H3
InChIKeyTUAOQCJUICFQCV-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.26
Rot. Bonds9

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 91631044) has the molecular formula C16H20ClNO4S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID91631044
Molecular FormulaC16H20ClNO4S2
Molecular Weight389.93 g/mol
Exact Mass389.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNO4S2/c1-21-13-5-3-12(4-6-13)9-10-24(19,20)18-11-14(22-2)15-7-8-16(17)23-15/h3-8,14,18H,9-11H2,1-2H3
InChIKeyTUAOQCJUICFQCV-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 91631044) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is TUAOQCJUICFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4S2/c1-21-13-5-3-12(4-6-13)9-10-24(19,20)18-11-14(22-2)15-7-8-16(17)23-15/h3-8,14,18H,9-11H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 389.93 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 91631044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).