N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide

C27H34N4O4S — CID 142040366

IUPACN-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN1CCN(c2cccc3c(S(=O)(=O)Nc4ccc(NC(=O)C(C)(C)CO)cc4)cccc23)CC1
InChIInChI=1S/C27H34N4O4S/c1-4-30-15-17-31(18-16-30)24-9-5-8-23-22(24)7-6-10-25(23)36(34,35)29-21-13-11-20(12-14-21)28-26(33)27(2,3)19-32/h5-14,29,32H,4,15-19H2,1-3H3,(H,28,33)
InChIKeyJAVUGYNIIQANRS-UHFFFAOYSA-N
MW510.66 g/mol
LogP3.74
Rot. Bonds8

About N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide

N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 142040366) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
PubChem CID142040366
Molecular FormulaC27H34N4O4S
Molecular Weight510.66 g/mol
Exact Mass510.23
IUPAC NameN-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
SMILESCCN1CCN(c2cccc3c(S(=O)(=O)Nc4ccc(NC(=O)C(C)(C)CO)cc4)cccc23)CC1
InChIInChI=1S/C27H34N4O4S/c1-4-30-15-17-31(18-16-30)24-9-5-8-23-22(24)7-6-10-25(23)36(34,35)29-21-13-11-20(12-14-21)28-26(33)27(2,3)19-32/h5-14,29,32H,4,15-19H2,1-3H3,(H,28,33)
InChIKeyJAVUGYNIIQANRS-UHFFFAOYSA-N
XLogP3.74
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-hydroxy-N-[4-[[4-[1-(1-hydroxyethyl)piperidin-4-yl]naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 142040395
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
2-amino-N-[4-[[5-(4-benzylpiperazin-1-yl)sulfonylnaphthalen-1-yl]sulfonylamino]phenyl]-3-chloro-2-methylpropanamide
CID 142026367
3-fluoro-2,2-dimethyl-N-[4-[[5-(4,4,4-trifluorobutylsulfonylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040386
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 59900306
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
CID 112809859
3-fluoro-N-[4-[(6-formylnaphthalen-1-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 11396239
3-fluoro-2,2-dimethyl-N-[4-[[4-(1H-pyrrol-2-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040416
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide (CID 142040366) is N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide is CCN1CCN(c2cccc3c(S(=O)(=O)Nc4ccc(NC(=O)C(C)(C)CO)cc4)cccc23)CC1.
What is the InChIKey of N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is JAVUGYNIIQANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S/c1-4-30-15-17-31(18-16-30)24-9-5-8-23-22(24)7-6-10-25(23)36(34,35)29-21-13-11-20(12-14-21)28-26(33)27(2,3)19-32/h5-14,29,32H,4,15-19H2,1-3H3,(H,28,33).
What are the key properties of N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide?
N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 510.66 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-ethylpiperazin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 142040366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).