N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide

C19H31N3O4S — CID 113145839

IUPACN-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
SMILESCOCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16-8-12-21(13-9-16)17-4-6-18(7-5-17)22(27(3,24)25)14-10-19(23)20-11-15-26-2/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyDVABULQNULYMPL-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.84
Rot. Bonds9

About N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide

N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide (PubChem CID 113145839) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
PubChem CID113145839
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
SMILESCOCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16-8-12-21(13-9-16)17-4-6-18(7-5-17)22(27(3,24)25)14-10-19(23)20-11-15-26-2/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyDVABULQNULYMPL-UHFFFAOYSA-N
XLogP1.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
CID 113145831
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
2-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylacetamide
CID 113156330
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide (CID 113145839) is N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide is COCCNC(=O)CCN(c1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide?
The InChIKey is DVABULQNULYMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-16-8-12-21(13-9-16)17-4-6-18(7-5-17)22(27(3,24)25)14-10-19(23)20-11-15-26-2/h4-7,16H,8-15H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide?
N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide has a molecular weight of 397.54 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide is sourced from PubChem (CID 113145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).