N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide

C17H27N3O4S — CID 112994466

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O4S/c1-3-4-13-25(22,23)18-14-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)24-2/h5-8,18H,3-4,9-14H2,1-2H3
InChIKeyRWHZCZVRHXQTIS-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.06
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide (PubChem CID 112994466) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
PubChem CID112994466
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O4S/c1-3-4-13-25(22,23)18-14-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)24-2/h5-8,18H,3-4,9-14H2,1-2H3
InChIKeyRWHZCZVRHXQTIS-UHFFFAOYSA-N
XLogP1.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
1-butylsulfonyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097520
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide (CID 112994466) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide?
The InChIKey is RWHZCZVRHXQTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-3-4-13-25(22,23)18-14-17(21)20-11-9-19(10-12-20)15-7-5-6-8-16(15)24-2/h5-8,18H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butane-1-sulfonamide is sourced from PubChem (CID 112994466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).