2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C19H31N3O7S2 — CID 30269663

IUPAC2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O7S2/c1-16(2)29-12-4-9-20-19(23)15-22(30(3,24)25)17-5-7-18(8-6-17)31(26,27)21-10-13-28-14-11-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyPFOOKOOZJPZIBQ-UHFFFAOYSA-N
MW477.61 g/mol
LogP0.40
Rot. Bonds11

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

2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 30269663) has the molecular formula C19H31N3O7S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID30269663
Molecular FormulaC19H31N3O7S2
Molecular Weight477.61 g/mol
Exact Mass477.16
IUPAC Name2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O7S2/c1-16(2)29-12-4-9-20-19(23)15-22(30(3,24)25)17-5-7-18(8-6-17)31(26,27)21-10-13-28-14-11-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyPFOOKOOZJPZIBQ-UHFFFAOYSA-N
XLogP0.40
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30277449
2-(4-bromo-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 21372641
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 55488005
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
CID 26861417
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901468

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 30269663) is 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PFOOKOOZJPZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O7S2/c1-16(2)29-12-4-9-20-19(23)15-22(30(3,24)25)17-5-7-18(8-6-17)31(26,27)21-10-13-28-14-11-21/h5-8,16H,4,9-15H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 477.61 g/mol, XLogP of 0.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 30269663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).