4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

C22H29N3O5S — CID 3153973

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-17(2)23-31(27,28)19-10-8-18(9-11-19)30-16-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)29-3/h4-11,17,23H,12-16H2,1-3H3
InChIKeyXWXBLXBSUUEEQH-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.11
Rot. Bonds8

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 3153973) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID3153973
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-17(2)23-31(27,28)19-10-8-18(9-11-19)30-16-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)29-3/h4-11,17,23H,12-16H2,1-3H3
InChIKeyXWXBLXBSUUEEQH-UHFFFAOYSA-N
XLogP2.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
3,4-dimethoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 11505007
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44431560
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-(Pyrrolidine-1-sulfonyl)-4H-benzo[1,4]oxazin-3-one
CID 4916037
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (CID 3153973) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XWXBLXBSUUEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-17(2)23-31(27,28)19-10-8-18(9-11-19)30-16-22(26)25-14-12-24(13-15-25)20-6-4-5-7-21(20)29-3/h4-11,17,23H,12-16H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3153973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).