2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide

C22H29N3O6S2 — CID 30271532

IUPAC2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O6S2/c1-32(27,28)25(18-22(26)23-13-5-8-19-6-3-2-4-7-19)20-9-11-21(12-10-20)33(29,30)24-14-16-31-17-15-24/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,23,26)
InChIKeyFPODJRLHIDXIMK-UHFFFAOYSA-N
MW495.62 g/mol
LogP1.22
Rot. Bonds10

About 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 30271532) has the molecular formula C22H29N3O6S2 and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
PubChem CID30271532
Molecular FormulaC22H29N3O6S2
Molecular Weight495.62 g/mol
Exact Mass495.15
IUPAC Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O6S2/c1-32(27,28)25(18-22(26)23-13-5-8-19-6-3-2-4-7-19)20-9-11-21(12-10-20)33(29,30)24-14-16-31-17-15-24/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,23,26)
InChIKeyFPODJRLHIDXIMK-UHFFFAOYSA-N
XLogP1.22
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30277449
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 30269663
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide (CID 30271532) is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is FPODJRLHIDXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S2/c1-32(27,28)25(18-22(26)23-13-5-8-19-6-3-2-4-7-19)20-9-11-21(12-10-20)33(29,30)24-14-16-31-17-15-24/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,23,26).
What are the key properties of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide?
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 495.62 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 30271532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).