N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide

C21H37N3O5S2 — CID 118376644

IUPACN-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(NCCCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C21H37N3O5S2/c1-17-15-24(16-18(2)29-17)30(25,26)20-11-9-10-19(14-20)22-12-7-6-8-13-23-31(27,28)21(3,4)5/h9-11,14,17-18,22-23H,6-8,12-13,15-16H2,1-5H3/t17-,18+
InChIKeySVXMXIDSRHLQLR-HDICACEKSA-N
MW475.68 g/mol
LogP2.78
Rot. Bonds10

About N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide

N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 118376644) has the molecular formula C21H37N3O5S2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide
PubChem CID118376644
Molecular FormulaC21H37N3O5S2
Molecular Weight475.68 g/mol
Exact Mass475.22
IUPAC NameN-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(NCCCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C21H37N3O5S2/c1-17-15-24(16-18(2)29-17)30(25,26)20-11-9-10-19(14-20)22-12-7-6-8-13-23-31(27,28)21(3,4)5/h9-11,14,17-18,22-23H,6-8,12-13,15-16H2,1-5H3/t17-,18+
InChIKeySVXMXIDSRHLQLR-HDICACEKSA-N
XLogP2.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide with MolForge

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Related Compounds

4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 20629618
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
7-tert-butylsulfonyl-1-[3-[(2R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]heptan-2-one
CID 58144203
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 7510224
N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]sulfonylmorpholine
CID 157367793
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 119607731
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide (CID 118376644) is N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide is C[C@@H]1CN(S(=O)(=O)c2cccc(NCCCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1.
What is the InChIKey of N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is SVXMXIDSRHLQLR-HDICACEKSA-N. The full InChI is InChI=1S/C21H37N3O5S2/c1-17-15-24(16-18(2)29-17)30(25,26)20-11-9-10-19(14-20)22-12-7-6-8-13-23-31(27,28)21(3,4)5/h9-11,14,17-18,22-23H,6-8,12-13,15-16H2,1-5H3/t17-,18+.
What are the key properties of N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide?
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 475.68 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 118376644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).