N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide

C19H19NO3S2 — CID 18585815

IUPACN-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C19H19NO3S2/c1-14-4-7-17(8-5-14)25(22,23)12-2-3-19(21)20-16-6-9-18-15(13-16)10-11-24-18/h4-11,13H,2-3,12H2,1H3,(H,20,21)
InChIKeyGLTGHYJJBUCTAW-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.40
Rot. Bonds6

About N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide

N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 18585815) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID18585815
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC NameN-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C19H19NO3S2/c1-14-4-7-17(8-5-14)25(22,23)12-2-3-19(21)20-16-6-9-18-15(13-16)10-11-24-18/h4-11,13H,2-3,12H2,1H3,(H,20,21)
InChIKeyGLTGHYJJBUCTAW-UHFFFAOYSA-N
XLogP4.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544104
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
N-(3-cyanothiophen-2-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585830
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273352
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
4-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide
CID 16823721
N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
CID 60866896
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide (CID 18585815) is N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is GLTGHYJJBUCTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-14-4-7-17(8-5-14)25(22,23)12-2-3-19(21)20-16-6-9-18-15(13-16)10-11-24-18/h4-11,13H,2-3,12H2,1H3,(H,20,21).
What are the key properties of N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide?
N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 373.50 g/mol, XLogP of 4.40, 6 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)-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 18585815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).