N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C19H31N3O4S — CID 30278155

IUPACN-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-15-12-16(2)19(17(3)13-15)22(27(4,24)25)14-18(23)20-6-5-7-21-8-10-26-11-9-21/h12-13H,5-11,14H2,1-4H3,(H,20,23)
InChIKeyIYGQRAIJOPYWTM-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.22
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30278155) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30278155
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-15-12-16(2)19(17(3)13-15)22(27(4,24)25)14-18(23)20-6-5-7-21-8-10-26-11-9-21/h12-13H,5-11,14H2,1-4H3,(H,20,23)
InChIKeyIYGQRAIJOPYWTM-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273526
N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100661394

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30278155) is N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is IYGQRAIJOPYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-15-12-16(2)19(17(3)13-15)22(27(4,24)25)14-18(23)20-6-5-7-21-8-10-26-11-9-21/h12-13H,5-11,14H2,1-4H3,(H,20,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 397.54 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30278155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).