N-(4-butylphenyl)-2-methylsulfanylbenzamide

C18H21NOS — CID 2228351

IUPACN-(4-butylphenyl)-2-methylsulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C18H21NOS/c1-3-4-7-14-10-12-15(13-11-14)19-18(20)16-8-5-6-9-17(16)21-2/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGIVRQXLFTLDXJL-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.00
Rot. Bonds6

About N-(4-butylphenyl)-2-methylsulfanylbenzamide

N-(4-butylphenyl)-2-methylsulfanylbenzamide (PubChem CID 2228351) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-methylsulfanylbenzamide
PubChem CID2228351
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(4-butylphenyl)-2-methylsulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C18H21NOS/c1-3-4-7-14-10-12-15(13-11-14)19-18(20)16-8-5-6-9-17(16)21-2/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGIVRQXLFTLDXJL-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42883894
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628497
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-methylsulfanylbenzamide (CID 2228351) is N-(4-butylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-methylsulfanylbenzamide is CCCCc1ccc(NC(=O)c2ccccc2SC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is GIVRQXLFTLDXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-4-7-14-10-12-15(13-11-14)19-18(20)16-8-5-6-9-17(16)21-2/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of N-(4-butylphenyl)-2-methylsulfanylbenzamide?
N-(4-butylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 299.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 2228351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).