N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C23H36N4O5S — CID 30273526

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC1CCN(CCCNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H36N4O5S/c1-19-8-12-25(13-9-19)11-3-10-24-22(28)18-27(33(2,30)31)21-6-4-20(5-7-21)23(29)26-14-16-32-17-15-26/h4-7,19H,3,8-18H2,1-2H3,(H,24,28)
InChIKeyXFLQMMUCOWNXEO-UHFFFAOYSA-N
MW480.63 g/mol
LogP1.16
Rot. Bonds9

About N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 30273526) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID30273526
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCC1CCN(CCCNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C23H36N4O5S/c1-19-8-12-25(13-9-19)11-3-10-24-22(28)18-27(33(2,30)31)21-6-4-20(5-7-21)23(29)26-14-16-32-17-15-26/h4-7,19H,3,8-18H2,1-2H3,(H,24,28)
InChIKeyXFLQMMUCOWNXEO-UHFFFAOYSA-N
XLogP1.16
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 51.16
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

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30266454
2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
CID 113156330
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30277058
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 30273526) is N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CC1CCN(CCCNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is XFLQMMUCOWNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-19-8-12-25(13-9-19)11-3-10-24-22(28)18-27(33(2,30)31)21-6-4-20(5-7-21)23(29)26-14-16-32-17-15-26/h4-7,19H,3,8-18H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 480.63 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 30273526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).