N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide

C19H30N4O4S — CID 9433201

IUPACN-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-4-20-18(24)14-21(5-2)15-19(25)22-10-12-23(13-11-22)28(26,27)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyQHBOZBRMQDJPMJ-UHFFFAOYSA-N
MW410.54 g/mol
LogP0.29
Rot. Bonds8

About N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide

N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 9433201) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID9433201
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC NameN-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCNC(=O)CN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-4-20-18(24)14-21(5-2)15-19(25)22-10-12-23(13-11-22)28(26,27)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyQHBOZBRMQDJPMJ-UHFFFAOYSA-N
XLogP0.29
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[ethyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]amino]acetamide
CID 9432967
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
N-ethyl-2-[ethyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]acetamide
CID 9433175
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
N-(2-aminoethyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide;hydrochloride
CID 119383883
N-[(2R)-2-hydroxypentyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 100648017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide (CID 9433201) is N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide is CCNC(=O)CN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is QHBOZBRMQDJPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-4-20-18(24)14-21(5-2)15-19(25)22-10-12-23(13-11-22)28(26,27)17-8-6-16(3)7-9-17/h6-9H,4-5,10-15H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide?
N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 410.54 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9433201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).