N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide

C18H17NO3S2 — CID 18587145

IUPACN-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C18H17NO3S2/c1-12(2)24(21,22)16-5-3-4-14(11-16)18(20)19-15-6-7-17-13(10-15)8-9-23-17/h3-12H,1-2H3,(H,19,20)
InChIKeyIKQSNIYTCCXOOM-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.34
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide

N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide (PubChem CID 18587145) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide
PubChem CID18587145
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C18H17NO3S2/c1-12(2)24(21,22)16-5-3-4-14(11-16)18(20)19-15-6-7-17-13(10-15)8-9-23-17/h3-12H,1-2H3,(H,19,20)
InChIKeyIKQSNIYTCCXOOM-UHFFFAOYSA-N
XLogP4.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
CID 41148003
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfonylbenzamide
CID 26844623
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
CID 65450538
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(1-benzothiophen-5-yl)-4-ethoxybenzamide
CID 23796811
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide (CID 18587145) is N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3sccc3c2)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide?
The InChIKey is IKQSNIYTCCXOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-12(2)24(21,22)16-5-3-4-14(11-16)18(20)19-15-6-7-17-13(10-15)8-9-23-17/h3-12H,1-2H3,(H,19,20).
What are the key properties of N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide?
N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 18587145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).