N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide

C24H25N5O3S — CID 46890285

IUPACN-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(NC(=O)C4CCCC4)cc2CC3)cc1
InChIInChI=1S/C24H25N5O3S/c25-33(31,32)20-10-7-18(8-11-20)28-24-26-14-17-6-5-16-13-19(9-12-21(16)22(17)29-24)27-23(30)15-3-1-2-4-15/h7-15H,1-6H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
InChIKeyDYWJQCINNODPCV-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide

N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide (PubChem CID 46890285) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide
PubChem CID46890285
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(NC(=O)C4CCCC4)cc2CC3)cc1
InChIInChI=1S/C24H25N5O3S/c25-33(31,32)20-10-7-18(8-11-20)28-24-26-14-17-6-5-16-13-19(9-12-21(16)22(17)29-24)27-23(30)15-3-1-2-4-15/h7-15H,1-6H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
InChIKeyDYWJQCINNODPCV-UHFFFAOYSA-N
XLogP3.76
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)benzenesulfonamide
CID 11405920
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]-4-nitrobenzamide
CID 156788599
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
4-N-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 156788594
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
4-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101887
4-[8-piperidin-4-yloxy-2-(4-sulfamoylanilino)-5,6-dihydroquinazolin-7-yl]benzamide
CID 143637750
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide (CID 46890285) is N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide is NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(NC(=O)C4CCCC4)cc2CC3)cc1.
What is the InChIKey of N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide?
The InChIKey is DYWJQCINNODPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c25-33(31,32)20-10-7-18(8-11-20)28-24-26-14-17-6-5-16-13-19(9-12-21(16)22(17)29-24)27-23(30)15-3-1-2-4-15/h7-15H,1-6H2,(H,27,30)(H2,25,31,32)(H,26,28,29).
What are the key properties of N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide?
N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide is sourced from PubChem (CID 46890285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).