N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide

C17H21NO5S — CID 100701375

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESC[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1
InChIInChI=1S/C17H21NO5S/c1-17(20,15-4-3-11-23-15)12-18-16(19)10-7-13-5-8-14(9-6-13)24(2,21)22/h3-6,8-9,11,20H,7,10,12H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyVEPQPHHYNAHGTO-QGZVFWFLSA-N
MW351.42 g/mol
LogP1.64
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide

N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 100701375) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID100701375
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESC[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1
InChIInChI=1S/C17H21NO5S/c1-17(20,15-4-3-11-23-15)12-18-16(19)10-7-13-5-8-14(9-6-13)24(2,21)22/h3-6,8-9,11,20H,7,10,12H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyVEPQPHHYNAHGTO-QGZVFWFLSA-N
XLogP1.64
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 124727836
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100699977
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
CID 111482708
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111482785

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide (CID 100701375) is N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide is C[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is VEPQPHHYNAHGTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-17(20,15-4-3-11-23-15)12-18-16(19)10-7-13-5-8-14(9-6-13)24(2,21)22/h3-6,8-9,11,20H,7,10,12H2,1-2H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 351.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 100701375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).