2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

C19H31N3O3S — CID 18571803

IUPAC2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-4-17(5-2)19(23)20-10-11-21-12-14-22(15-13-21)26(24,25)18-8-6-16(3)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyGSZUVOFYTXPVBW-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.85
Rot. Bonds8

About 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide (PubChem CID 18571803) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
PubChem CID18571803
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-4-17(5-2)19(23)20-10-11-21-12-14-22(15-13-21)26(24,25)18-8-6-16(3)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyGSZUVOFYTXPVBW-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
1-(4-methylphenyl)sulfonyl-4-[2-(sulfinoamino)ethyl]piperazine
CID 71192302
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
4-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitrobenzamide
CID 29196462
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide (CID 18571803) is 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide is CCC(CC)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
The InChIKey is GSZUVOFYTXPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-17(5-2)19(23)20-10-11-21-12-14-22(15-13-21)26(24,25)18-8-6-16(3)7-9-18/h6-9,17H,4-5,10-15H2,1-3H3,(H,20,23).
What are the key properties of 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide?
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide has a molecular weight of 381.54 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 18571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).