N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide

C19H30N4O4S — CID 9432967

IUPACN-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N4O4S/c1-3-20-18(24)14-22(4-2)15-19(25)21-16-8-10-17(11-9-16)28(26,27)23-12-6-5-7-13-23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyKJTYUWHIAYMNCB-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.26
Rot. Bonds9

About N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide

N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide (PubChem CID 9432967) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide
PubChem CID9432967
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC NameN-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N4O4S/c1-3-20-18(24)14-22(4-2)15-19(25)21-16-8-10-17(11-9-16)28(26,27)23-12-6-5-7-13-23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyKJTYUWHIAYMNCB-UHFFFAOYSA-N
XLogP1.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 9433201
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135718628
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
methyl 3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)propanoate
CID 28637929
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 108806921
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide (CID 9432967) is N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide is CCNC(=O)CN(CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide?
The InChIKey is KJTYUWHIAYMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-3-20-18(24)14-22(4-2)15-19(25)21-16-8-10-17(11-9-16)28(26,27)23-12-6-5-7-13-23/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide?
N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 9432967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).