N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide

C16H20N2O4S3 — CID 7483067

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)s1
InChIInChI=1S/C16H20N2O4S3/c1-3-14-7-8-16(23-14)25(21,22)17-15-11-13(6-5-12(15)2)18-9-4-10-24(18,19)20/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyHPMXGAYAXMFHFF-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.96
Rot. Bonds5

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 7483067) has the molecular formula C16H20N2O4S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide
PubChem CID7483067
Molecular FormulaC16H20N2O4S3
Molecular Weight400.55 g/mol
Exact Mass400.06
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)s1
InChIInChI=1S/C16H20N2O4S3/c1-3-14-7-8-16(23-14)25(21,22)17-15-11-13(6-5-12(15)2)18-9-4-10-24(18,19)20/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyHPMXGAYAXMFHFF-UHFFFAOYSA-N
XLogP2.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 7483062
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
N-(5-amino-2,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 104757226
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43955516
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 20962424

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide (CID 7483067) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)s1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is HPMXGAYAXMFHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S3/c1-3-14-7-8-16(23-14)25(21,22)17-15-11-13(6-5-12(15)2)18-9-4-10-24(18,19)20/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 400.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 7483067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).