(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide

C18H21NO4S — CID 95279840

IUPAC(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S/c1-13(19-18(20)14(2)24(3,21)22)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyKRWVZFVWFOGOIP-ZIAGYGMSSA-N
MW347.44 g/mol
LogP3.09
Rot. Bonds6

About (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide

(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide (PubChem CID 95279840) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
PubChem CID95279840
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide
SMILESC[C@H](C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S/c1-13(19-18(20)14(2)24(3,21)22)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyKRWVZFVWFOGOIP-ZIAGYGMSSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486888
(2R)-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486883
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125086281
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
methyl 2-(2-methylsulfonylpropanoylamino)-2-phenylacetate
CID 115624418
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 94024950
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide (CID 95279840) is (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide is C[C@H](C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide?
The InChIKey is KRWVZFVWFOGOIP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(19-18(20)14(2)24(3,21)22)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide?
(2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-[(1R)-1-(4-phenoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 95279840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).