2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

C18H19NO3S — CID 713147

IUPAC2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccccc1SC)OCO2
InChIInChI=1S/C18H19NO3S/c1-3-6-12-9-15-16(22-11-21-15)10-14(12)19-18(20)13-7-4-5-8-17(13)23-2/h4-5,7-10H,3,6,11H2,1-2H3,(H,19,20)
InChIKeyBOSDIIWNSAEMAJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.34
Rot. Bonds5

About 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 713147) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID713147
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccccc1SC)OCO2
InChIInChI=1S/C18H19NO3S/c1-3-6-12-9-15-16(22-11-21-15)10-14(12)19-18(20)13-7-4-5-8-17(13)23-2/h4-5,7-10H,3,6,11H2,1-2H3,(H,19,20)
InChIKeyBOSDIIWNSAEMAJ-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-(6-propyl-1,3-benzodioxol-5-yl)naphthalene-2-carboxamide
CID 1263849
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 41178997
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-phenylbenzamide
CID 86878163
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
6-[(2-chlorobenzoyl)amino]-1,3-benzodioxole-5-carboxylate
CID 8005660

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (CID 713147) is 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is CCCc1cc2c(cc1NC(=O)c1ccccc1SC)OCO2.
What is the InChIKey of 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is BOSDIIWNSAEMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-3-6-12-9-15-16(22-11-21-15)10-14(12)19-18(20)13-7-4-5-8-17(13)23-2/h4-5,7-10H,3,6,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 713147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).