N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide

C22H29N3O4S — CID 1092921

IUPACN-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-24-13-15-25(16-14-24)22(26)18-29-20-9-11-21(12-10-20)30(27,28)23(2)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3
InChIKeyXAJMNGYLEOEZBT-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.05
Rot. Bonds8

About N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide

N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide (PubChem CID 1092921) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
PubChem CID1092921
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-24-13-15-25(16-14-24)22(26)18-29-20-9-11-21(12-10-20)30(27,28)23(2)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3
InChIKeyXAJMNGYLEOEZBT-UHFFFAOYSA-N
XLogP2.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
N-[(2S)-3-[(3S)-3-benzyl-5-oxo-morpholin-4-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide
CID 474323
N-[(2S)-3-[(2R,5S)-2-allyl-5-benzyl-3-oxo-morpholin-4-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide
CID 16046180
Benzenesulfonamide, N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[(2S,5S)-2-methyl-3-oxo-5-(phenylmethyl)-4-morpholinyl]propyl]-4-methoxy-
CID 16074379
Benzenesulfonamide, N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[(2S,5S)-3-oxo-5-(phenylmethyl)-2-(2-propenyl)-4-morpholinyl]propyl]-4-methoxy-
CID 16074382
morpholinone scaffold A
CID 23644804
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
N-(2,5-dimethoxybenzyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 665777
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4845318
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-2-phenoxy-N-propyl-acetamide
CID 478451

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide (CID 1092921) is N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide is CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide?
The InChIKey is XAJMNGYLEOEZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-24-13-15-25(16-14-24)22(26)18-29-20-9-11-21(12-10-20)30(27,28)23(2)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3.
What are the key properties of N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide?
N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide has a molecular weight of 431.56 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 1092921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).