N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide

C14H21NO5S — CID 170830912

IUPACN-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H21NO5S/c1-9(2)21(19,20)12-6-4-5-11(7-12)14(18)13(17)8-15-10(3)16/h4-7,9,13-14,17-18H,8H2,1-3H3,(H,15,16)
InChIKeyFNYHRYYUMIYXGY-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.40
Rot. Bonds6

About N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide

N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide (PubChem CID 170830912) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide
PubChem CID170830912
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC NameN-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H21NO5S/c1-9(2)21(19,20)12-6-4-5-11(7-12)14(18)13(17)8-15-10(3)16/h4-7,9,13-14,17-18H,8H2,1-3H3,(H,15,16)
InChIKeyFNYHRYYUMIYXGY-UHFFFAOYSA-N
XLogP0.40
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
CID 170829679
N-[3-(3-carbamothioylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830072
2,4-diamino-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926931
4-amino-2-(methylamino)-1-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926933
tert-butyl N-[2,3-dihydroxy-3-(3-sulfamoylphenyl)propyl]carbamate
CID 170832544
3-(3-propan-2-ylsulfonylphenyl)butanoic acid
CID 83957493
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propyl]acetamide
CID 170829568
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide (CID 170830912) is N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(S(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide?
The InChIKey is FNYHRYYUMIYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-9(2)21(19,20)12-6-4-5-11(7-12)14(18)13(17)8-15-10(3)16/h4-7,9,13-14,17-18H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 170830912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).