N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide

C18H17NO3S2 — CID 7544104

IUPACN-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C18H17NO3S2/c1-13-2-5-16(6-3-13)24(21,22)11-9-18(20)19-15-4-7-17-14(12-15)8-10-23-17/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyBPTSZSPAIMGGSC-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.01
Rot. Bonds5

About N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 7544104) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID7544104
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C18H17NO3S2/c1-13-2-5-16(6-3-13)24(21,22)11-9-18(20)19-15-4-7-17-14(12-15)8-10-23-17/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyBPTSZSPAIMGGSC-UHFFFAOYSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585815
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
3-(4-methylphenyl)sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616370
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 7544104) is N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is BPTSZSPAIMGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-13-2-5-16(6-3-13)24(21,22)11-9-18(20)19-15-4-7-17-14(12-15)8-10-23-17/h2-8,10,12H,9,11H2,1H3,(H,19,20).
What are the key properties of N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 359.47 g/mol, XLogP of 4.01, 5 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-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 7544104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).