N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide

C18H22N2O3S — CID 97070621

IUPACN-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)13-24(22,23)19-17-9-11-18(12-10-17)20(3)15(2)21/h4-12,14,19H,13H2,1-3H3/t14-/m0/s1
InChIKeyDKXYXPGSYOQVHW-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds6

About N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide

N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide (PubChem CID 97070621) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide
PubChem CID97070621
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)13-24(22,23)19-17-9-11-18(12-10-17)20(3)15(2)21/h4-12,14,19H,13H2,1-3H3/t14-/m0/s1
InChIKeyDKXYXPGSYOQVHW-AWEZNQCLSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
CID 97070624
N-[4-[acetyl(methyl)amino]phenyl]-2-(1-phenylethylamino)acetamide
CID 54814802
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
CID 103798273
N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
(2S)-2-hydroxy-N,2-diphenylethanesulfonamide
CID 135065359
N-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3837936
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide (CID 97070621) is N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide is CC(=O)N(C)c1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide?
The InChIKey is DKXYXPGSYOQVHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)13-24(22,23)19-17-9-11-18(12-10-17)20(3)15(2)21/h4-12,14,19H,13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide?
N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 97070621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).