(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide

C18H20N2O5S — CID 110286688

IUPAC(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-12(2)19-18(21)17(13-6-4-3-5-7-13)20-26(22,23)14-8-9-15-16(10-14)25-11-24-15/h3-10,12,17,20H,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyXNCPGBDGSVEXAU-KRWDZBQOSA-N
MW376.43 g/mol
LogP1.96
Rot. Bonds6

About (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide

(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide (PubChem CID 110286688) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
PubChem CID110286688
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-12(2)19-18(21)17(13-6-4-3-5-7-13)20-26(22,23)14-8-9-15-16(10-14)25-11-24-15/h3-10,12,17,20H,11H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyXNCPGBDGSVEXAU-KRWDZBQOSA-N
XLogP1.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110626063
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(1-phenylethyl)butanamide
CID 55334515
(2S)-2-phenyl-N-propan-2-yl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110286716
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,3-benzodioxole-5-sulfonamide
CID 110348691
2-(1,3-benzodioxol-5-ylsulfonylamino)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 154743917
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
(2S)-2-(ethylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286664
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110286675
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide (CID 110286688) is (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide is CC(C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is XNCPGBDGSVEXAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-12(2)19-18(21)17(13-6-4-3-5-7-13)20-26(22,23)14-8-9-15-16(10-14)25-11-24-15/h3-10,12,17,20H,11H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide?
(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 376.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 110286688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).