(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide

C15H22N2O4S — CID 94782590

IUPAC(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-11-21-13(3)15(18)16-9-10-17-22(19,20)14-7-5-12(2)6-8-14/h4-8,13,17H,1,9-11H2,2-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXYDMDOJCYHJOCQ-CYBMUJFWSA-N
MW326.42 g/mol
LogP0.98
Rot. Bonds9

About (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide

(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide (PubChem CID 94782590) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
PubChem CID94782590
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-11-21-13(3)15(18)16-9-10-17-22(19,20)14-7-5-12(2)6-8-14/h4-8,13,17H,1,9-11H2,2-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXYDMDOJCYHJOCQ-CYBMUJFWSA-N
XLogP0.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
CID 572222
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-prop-2-enylguanidine
CID 110980050
N-[(3R)-3-(4-methoxyphenyl)-3-prop-2-enoxypropyl]-4-methylbenzenesulfonamide
CID 102381092
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
N-(2-hydroxy-3-prop-2-enoxypropyl)-4-methylbenzenesulfonamide
CID 71419925
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
CID 17154050
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
prop-2-enyl (2S)-3-[(4-methylphenyl)sulfonylamino]-2-(prop-2-enoxycarbonylamino)propanoate
CID 102087105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide?
The IUPAC name of (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide (CID 94782590) is (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide.
What is the SMILES notation for (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide?
The canonical SMILES for (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide is C=CCO[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide?
The InChIKey is XYDMDOJCYHJOCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-11-21-13(3)15(18)16-9-10-17-22(19,20)14-7-5-12(2)6-8-14/h4-8,13,17H,1,9-11H2,2-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide?
(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide has a molecular weight of 326.42 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide is sourced from PubChem (CID 94782590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).