(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide

C18H23N3O3S — CID 35644810

IUPAC(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCN[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-8-9-14(2)16(12-13)25(23,24)21-11-10-20-17(18(19)22)15-6-4-3-5-7-15/h3-9,12,17,20-21H,10-11H2,1-2H3,(H2,19,22)/t17-/m1/s1
InChIKeyPSNMWLTWOAPKSF-QGZVFWFLSA-N
MW361.47 g/mol
LogP1.40
Rot. Bonds8

About (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide

(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide (PubChem CID 35644810) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
PubChem CID35644810
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCN[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-13-8-9-14(2)16(12-13)25(23,24)21-11-10-20-17(18(19)22)15-6-4-3-5-7-15/h3-9,12,17,20-21H,10-11H2,1-2H3,(H2,19,22)/t17-/m1/s1
InChIKeyPSNMWLTWOAPKSF-QGZVFWFLSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide (CID 35644810) is (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide is Cc1ccc(C)c(S(=O)(=O)NCCN[C@@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide?
The InChIKey is PSNMWLTWOAPKSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-8-9-14(2)16(12-13)25(23,24)21-11-10-20-17(18(19)22)15-6-4-3-5-7-15/h3-9,12,17,20-21H,10-11H2,1-2H3,(H2,19,22)/t17-/m1/s1.
What are the key properties of (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide?
(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide has a molecular weight of 361.47 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide is sourced from PubChem (CID 35644810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).