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

C27H25N5O4S — CID 46890256

IUPAC2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCc2cnc(Nc4ccc(S(N)(=O)=O)cc4)nc2-3)cc1
InChIInChI=1S/C27H25N5O4S/c1-36-22-9-2-17(3-10-22)14-25(33)30-21-8-13-24-18(15-21)4-5-19-16-29-27(32-26(19)24)31-20-6-11-23(12-7-20)37(28,34)35/h2-3,6-13,15-16H,4-5,14H2,1H3,(H,30,33)(H2,28,34,35)(H,29,31,32)
InChIKeyIVFKBDVWDXZDKD-UHFFFAOYSA-N
MW515.60 g/mol
LogP3.82
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide (PubChem CID 46890256) has the molecular formula C27H25N5O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide
PubChem CID46890256
Molecular FormulaC27H25N5O4S
Molecular Weight515.60 g/mol
Exact Mass515.16
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCc2cnc(Nc4ccc(S(N)(=O)=O)cc4)nc2-3)cc1
InChIInChI=1S/C27H25N5O4S/c1-36-22-9-2-17(3-10-22)14-25(33)30-21-8-13-24-18(15-21)4-5-19-16-29-27(32-26(19)24)31-20-6-11-23(12-7-20)37(28,34)35/h2-3,6-13,15-16H,4-5,14H2,1H3,(H,30,33)(H2,28,34,35)(H,29,31,32)
InChIKeyIVFKBDVWDXZDKD-UHFFFAOYSA-N
XLogP3.82
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide (CID 46890256) is 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CCc2cnc(Nc4ccc(S(N)(=O)=O)cc4)nc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide?
The InChIKey is IVFKBDVWDXZDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S/c1-36-22-9-2-17(3-10-22)14-25(33)30-21-8-13-24-18(15-21)4-5-19-16-29-27(32-26(19)24)31-20-6-11-23(12-7-20)37(28,34)35/h2-3,6-13,15-16H,4-5,14H2,1H3,(H,30,33)(H2,28,34,35)(H,29,31,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide has a molecular weight of 515.60 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]acetamide is sourced from PubChem (CID 46890256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).