ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide

C29H28N6O3S — CID 157043861

IUPACethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
SMILESCC.NS(=O)(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C27H22N6O3S.C2H6/c28-37(35,36)23-9-10-25-24(17-23)26(13-16-30-25)32-20-3-1-18(2-4-20)27(34)33-21-7-5-19(6-8-21)31-22-11-14-29-15-12-22;1-2/h1-17H,(H,29,31)(H,30,32)(H,33,34)(H2,28,35,36);1-2H3
InChIKeyDTYCYIDOVMLALB-UHFFFAOYSA-N
MW540.65 g/mol
LogP6.04
Rot. Bonds7

About ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide

ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide (PubChem CID 157043861) has the molecular formula C29H28N6O3S and a molecular weight of 540.65 g/mol. Its IUPAC name is ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Nameethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
PubChem CID157043861
Molecular FormulaC29H28N6O3S
Molecular Weight540.65 g/mol
Exact Mass540.19
IUPAC Nameethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
SMILESCC.NS(=O)(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C27H22N6O3S.C2H6/c28-37(35,36)23-9-10-25-24(17-23)26(13-16-30-25)32-20-3-1-18(2-4-20)27(34)33-21-7-5-19(6-8-21)31-22-11-14-29-15-12-22;1-2/h1-17H,(H,29,31)(H,30,32)(H,33,34)(H2,28,35,36);1-2H3
InChIKeyDTYCYIDOVMLALB-UHFFFAOYSA-N
XLogP6.04
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide with MolForge

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Related Compounds

N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
4-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide
CID 67199735
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide chloride
CID 71659966
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide?
The IUPAC name of ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide (CID 157043861) is ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide.
What is the SMILES notation for ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide?
The canonical SMILES for ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide is CC.NS(=O)(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)cc3)c2c1.
What is the InChIKey of ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide?
The InChIKey is DTYCYIDOVMLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O3S.C2H6/c28-37(35,36)23-9-10-25-24(17-23)26(13-16-30-25)32-20-3-1-18(2-4-20)27(34)33-21-7-5-19(6-8-21)31-22-11-14-29-15-12-22;1-2/h1-17H,(H,29,31)(H,30,32)(H,33,34)(H2,28,35,36);1-2H3.
What are the key properties of ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide?
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide has a molecular weight of 540.65 g/mol, XLogP of 6.04, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 157043861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).