(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide

C20H26N2O3S — CID 100566721

IUPAC(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
SMILESCc1cccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-16-9-7-10-17(15-16)11-8-14-21-20(23)19(22(2)26(3,24)25)18-12-5-4-6-13-18/h4-7,9-10,12-13,15,19H,8,11,14H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyZVHLCHKHPYTBSD-LJQANCHMSA-N
MW374.51 g/mol
LogP2.68
Rot. Bonds8

About (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide

(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide (PubChem CID 100566721) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
PubChem CID100566721
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
SMILESCc1cccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-16-9-7-10-17(15-16)11-8-14-21-20(23)19(22(2)26(3,24)25)18-12-5-4-6-13-18/h4-7,9-10,12-13,15,19H,8,11,14H2,1-3H3,(H,21,23)/t19-/m1/s1
InChIKeyZVHLCHKHPYTBSD-LJQANCHMSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.68
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)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
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
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125074946
2-[methyl(methylsulfonyl)amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 133190535
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
N-[3-(3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide (CID 100566721) is (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide is Cc1cccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide?
The InChIKey is ZVHLCHKHPYTBSD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-9-7-10-17(15-16)11-8-14-21-20(23)19(22(2)26(3,24)25)18-12-5-4-6-13-18/h4-7,9-10,12-13,15,19H,8,11,14H2,1-3H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide?
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide has a molecular weight of 374.51 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide is sourced from PubChem (CID 100566721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).