N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide

C17H16N2O3S2 — CID 2826149

IUPACN-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12(20)19-14-6-8-15(9-7-14)24(21,22)18-10-13-11-23-17-5-3-2-4-16(13)17/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyGPWYBDGEWYSGMR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds5

About N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide

N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 2826149) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID2826149
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12(20)19-14-6-8-15(9-7-14)24(21,22)18-10-13-11-23-17-5-3-2-4-16(13)17/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyGPWYBDGEWYSGMR-UHFFFAOYSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 121023413
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(2,3,4-trifluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 74226496
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-(1-benzothiophen-3-ylmethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3408340
N-(1-benzothiophen-3-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3874820
N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87020519
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide (CID 2826149) is N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2csc3ccccc23)cc1.
What is the InChIKey of N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is GPWYBDGEWYSGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12(20)19-14-6-8-15(9-7-14)24(21,22)18-10-13-11-23-17-5-3-2-4-16(13)17/h2-9,11,18H,10H2,1H3,(H,19,20).
What are the key properties of N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2826149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).