(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C20H26N2O4S — CID 100758648

IUPAC(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-22(27(3,24)25)19(17-9-5-4-6-10-17)20(23)21-15-7-8-16-11-13-18(26-2)14-12-16/h4-6,9-14,19H,7-8,15H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKRKKCXDAUFRSDC-IBGZPJMESA-N
MW390.51 g/mol
LogP2.38
Rot. Bonds9

About (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 100758648) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID100758648
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOc1ccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-22(27(3,24)25)19(17-9-5-4-6-10-17)20(23)21-15-7-8-16-11-13-18(26-2)14-12-16/h4-6,9-14,19H,7-8,15H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKRKKCXDAUFRSDC-IBGZPJMESA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
CID 100566721
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 119299639
N-[1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133162154
(2S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054925
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100557677
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 100758648) is (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is COc1ccc(CCCNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is KRKKCXDAUFRSDC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-22(27(3,24)25)19(17-9-5-4-6-10-17)20(23)21-15-7-8-16-11-13-18(26-2)14-12-16/h4-6,9-14,19H,7-8,15H2,1-3H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 100758648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).