N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

C18H22N2O4S2 — CID 110328320

IUPACN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(=O)(=O)c3cccs3)OC2=O)cc1
InChIInChI=1S/C18H22N2O4S2/c1-18(2,3)13-6-8-14(9-7-13)20-12-15(24-17(20)21)11-19-26(22,23)16-5-4-10-25-16/h4-10,15,19H,11-12H2,1-3H3
InChIKeyPVMJNOIDOJHBID-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.35
Rot. Bonds5

About N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110328320) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID110328320
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(=O)(=O)c3cccs3)OC2=O)cc1
InChIInChI=1S/C18H22N2O4S2/c1-18(2,3)13-6-8-14(9-7-13)20-12-15(24-17(20)21)11-19-26(22,23)16-5-4-10-25-16/h4-10,15,19H,11-12H2,1-3H3
InChIKeyPVMJNOIDOJHBID-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328218
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110328314
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110328142
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 16919684
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (CID 110328320) is N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is CC(C)(C)c1ccc(N2CC(CNS(=O)(=O)c3cccs3)OC2=O)cc1.
What is the InChIKey of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is PVMJNOIDOJHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-18(2,3)13-6-8-14(9-7-13)20-12-15(24-17(20)21)11-19-26(22,23)16-5-4-10-25-16/h4-10,15,19H,11-12H2,1-3H3.
What are the key properties of N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110328320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).