N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide

C19H20N2O3S2 — CID 121023413

IUPACN-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2csc3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13(11-15-12-25-19-6-4-3-5-18(15)19)21-26(23,24)17-9-7-16(8-10-17)20-14(2)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,22)
InChIKeyNFKCOFXZRMEPQP-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide

N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide (PubChem CID 121023413) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
PubChem CID121023413
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2csc3ccccc23)cc1
InChIInChI=1S/C19H20N2O3S2/c1-13(11-15-12-25-19-6-4-3-5-18(15)19)21-26(23,24)17-9-7-16(8-10-17)20-14(2)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,22)
InChIKeyNFKCOFXZRMEPQP-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-benzothiophen-3-ylmethylsulfamoyl)phenyl]acetamide
CID 2826149
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide (CID 121023413) is N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2csc3ccccc23)cc1.
What is the InChIKey of N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The InChIKey is NFKCOFXZRMEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-13(11-15-12-25-19-6-4-3-5-18(15)19)21-26(23,24)17-9-7-16(8-10-17)20-14(2)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-benzothiophen-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 121023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).