3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

C28H35N3O5S — CID 142040395

IUPAC3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(O)N1CCC(c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H35N3O5S/c1-19(33)31-16-14-20(15-17-31)23-12-13-26(25-7-5-4-6-24(23)25)37(35,36)30-22-10-8-21(9-11-22)29-27(34)28(2,3)18-32/h4-13,19-20,30,32-33H,14-18H2,1-3H3,(H,29,34)
InChIKeyAOETXDPOKBTXKC-UHFFFAOYSA-N
MW525.67 g/mol
LogP4.12
Rot. Bonds8

About 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 142040395) has the molecular formula C28H35N3O5S and a molecular weight of 525.67 g/mol. Its IUPAC name is 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID142040395
Molecular FormulaC28H35N3O5S
Molecular Weight525.67 g/mol
Exact Mass525.23
IUPAC Name3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(O)N1CCC(c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H35N3O5S/c1-19(33)31-16-14-20(15-17-31)23-12-13-26(25-7-5-4-6-24(23)25)37(35,36)30-22-10-8-21(9-11-22)29-27(34)28(2,3)18-32/h4-13,19-20,30,32-33H,14-18H2,1-3H3,(H,29,34)
InChIKeyAOETXDPOKBTXKC-UHFFFAOYSA-N
XLogP4.12
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.67
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 142040366
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
3-fluoro-2,2-dimethyl-N-[4-[[4-(1H-pyrrol-2-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040416
3-fluoro-2,2-dimethyl-N-[4-[[5-(4,4,4-trifluorobutylsulfonylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040386
2-amino-N-[4-[[5-(4-benzylpiperazin-1-yl)sulfonylnaphthalen-1-yl]sulfonylamino]phenyl]-3-chloro-2-methylpropanamide
CID 142026367
3-fluoro-N-[4-[(6-formylnaphthalen-1-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 11396239
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide
CID 142036869
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 142040395) is 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is CC(O)N1CCC(c2ccc(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)c3ccccc23)CC1.
What is the InChIKey of 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is AOETXDPOKBTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S/c1-19(33)31-16-14-20(15-17-31)23-12-13-26(25-7-5-4-6-24(23)25)37(35,36)30-22-10-8-21(9-11-22)29-27(34)28(2,3)18-32/h4-13,19-20,30,32-33H,14-18H2,1-3H3,(H,29,34).
What are the key properties of 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 525.67 g/mol, XLogP of 4.12, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142040395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).