(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C18H22N2O4S — CID 100773773

IUPAC(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-20(25(3,22)23)17(14-9-5-4-6-10-14)18(21)19-13-15-11-7-8-12-16(15)24-2/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyUCOPEAHMACJVHC-QGZVFWFLSA-N
MW362.45 g/mol
LogP1.94
Rot. Bonds7

About (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 100773773) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID100773773
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-20(25(3,22)23)17(14-9-5-4-6-10-14)18(21)19-13-15-11-7-8-12-16(15)24-2/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyUCOPEAHMACJVHC-QGZVFWFLSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125072960
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 133165364
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125057945
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 100773773) is (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is UCOPEAHMACJVHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(25(3,22)23)17(14-9-5-4-6-10-14)18(21)19-13-15-11-7-8-12-16(15)24-2/h4-12,17H,13H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 362.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 100773773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).