(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide

C19H24N2O3S — CID 125053712

IUPAC(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESCN([C@H](C(=O)NCCCc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-21(25(2,23)24)18(17-13-7-4-8-14-17)19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyPBTMCTRKCZAOMJ-SFHVURJKSA-N
MW360.48 g/mol
LogP2.37
Rot. Bonds8

About (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide (PubChem CID 125053712) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
PubChem CID125053712
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
SMILESCN([C@H](C(=O)NCCCc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-21(25(2,23)24)18(17-13-7-4-8-14-17)19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyPBTMCTRKCZAOMJ-SFHVURJKSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
CID 100566721
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040
2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 125054943
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide (CID 125053712) is (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide is CN([C@H](C(=O)NCCCc1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide?
The InChIKey is PBTMCTRKCZAOMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-21(25(2,23)24)18(17-13-7-4-8-14-17)19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide?
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 125053712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).