2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C26H24N4O3S2 — CID 1155564

IUPAC2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C26H24N4O3S2/c31-24(27-20-12-14-21(15-13-20)35(32,33)30-16-6-7-17-30)18-34-26-22-10-4-5-11-23(22)28-25(29-26)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,27,31)
InChIKeyJEHJLWATSHKERF-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.81
Rot. Bonds7

About 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1155564) has the molecular formula C26H24N4O3S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1155564
Molecular FormulaC26H24N4O3S2
Molecular Weight504.64 g/mol
Exact Mass504.13
IUPAC Name2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C26H24N4O3S2/c31-24(27-20-12-14-21(15-13-20)35(32,33)30-16-6-7-17-30)18-34-26-22-10-4-5-11-23(22)28-25(29-26)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,27,31)
InChIKeyJEHJLWATSHKERF-UHFFFAOYSA-N
XLogP4.81
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-(4-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134204
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3266954
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711
2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 23931652
N-(3-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134201
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176176
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155970
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1155564) is 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is JEHJLWATSHKERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S2/c31-24(27-20-12-14-21(15-13-20)35(32,33)30-16-6-7-17-30)18-34-26-22-10-4-5-11-23(22)28-25(29-26)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,27,31).
What are the key properties of 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 504.64 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1155564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).