(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C17H18N2O6S — CID 7453372

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O6S/c1-11(19-26(21,22)14-6-4-13(23-2)5-7-14)17(20)18-12-3-8-15-16(9-12)25-10-24-15/h3-9,11,19H,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCCHHSVNAAGQESJ-LLVKDONJSA-N
MW378.41 g/mol
LogP1.73
Rot. Bonds6

About (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 7453372) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID7453372
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O6S/c1-11(19-26(21,22)14-6-4-13(23-2)5-7-14)17(20)18-12-3-8-15-16(9-12)25-10-24-15/h3-9,11,19H,10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCCHHSVNAAGQESJ-LLVKDONJSA-N
XLogP1.73
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 124553698
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927812
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 55350091
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145369
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 7453372) is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is CCHHSVNAAGQESJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-11(19-26(21,22)14-6-4-13(23-2)5-7-14)17(20)18-12-3-8-15-16(9-12)25-10-24-15/h3-9,11,19H,10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 378.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7453372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).