N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

C16H18N2O6S — CID 113138579

IUPACN-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1
InChIInChI=1S/C16H18N2O6S/c1-25(20,21)18(10-13-3-2-8-22-13)7-6-16(19)17-12-4-5-14-15(9-12)24-11-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,17,19)
InChIKeyHYZSCZKDHMPOKI-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.80
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (PubChem CID 113138579) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
PubChem CID113138579
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1
InChIInChI=1S/C16H18N2O6S/c1-25(20,21)18(10-13-3-2-8-22-13)7-6-16(19)17-12-4-5-14-15(9-12)24-11-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,17,19)
InChIKeyHYZSCZKDHMPOKI-UHFFFAOYSA-N
XLogP1.80
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113138556
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-(1,3-benzodioxol-5-yl)-3-(N-methylsulfonylanilino)propanamide
CID 113141566
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141853

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide (CID 113138579) is N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
The InChIKey is HYZSCZKDHMPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-25(20,21)18(10-13-3-2-8-22-13)7-6-16(19)17-12-4-5-14-15(9-12)24-11-23-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide has a molecular weight of 366.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113138579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).