N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

C17H22N2O3S2 — CID 16553889

IUPACN-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-4-12(2)14-5-7-15(8-6-14)19-24(21,22)17-10-9-16(23-17)11-18-13(3)20/h5-10,12,19H,4,11H2,1-3H3,(H,18,20)
InChIKeyOPCYVGKVHRSVTQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.70
Rot. Bonds7

About N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 16553889) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID16553889
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-4-12(2)14-5-7-15(8-6-14)19-24(21,22)17-10-9-16(23-17)11-18-13(3)20/h5-10,12,19H,4,11H2,1-3H3,(H,18,20)
InChIKeyOPCYVGKVHRSVTQ-UHFFFAOYSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
N-[[5-[(4-acetamido-3-chlorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16604918
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122296926
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-[[5-[[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122287728
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
N-[[5-(phenylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 2823706

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 16553889) is N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is CCC(C)c1ccc(NS(=O)(=O)c2ccc(CNC(C)=O)s2)cc1.
What is the InChIKey of N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is OPCYVGKVHRSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-4-12(2)14-5-7-15(8-6-14)19-24(21,22)17-10-9-16(23-17)11-18-13(3)20/h5-10,12,19H,4,11H2,1-3H3,(H,18,20).
What are the key properties of N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 16553889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).