N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

C22H24N4O4S — CID 47029289

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N4O4S/c27-21(10-5-13-25-16-24-19-8-3-2-7-18(19)22(25)28)23-12-15-31(29,30)26-14-11-17-6-1-4-9-20(17)26/h1-4,6-9,16H,5,10-15H2,(H,23,27)
InChIKeyVZFXGLRQPIMYPQ-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.69
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 47029289) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID47029289
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N4O4S/c27-21(10-5-13-25-16-24-19-8-3-2-7-18(19)22(25)28)23-12-15-31(29,30)26-14-11-17-6-1-4-9-20(17)26/h1-4,6-9,16H,5,10-15H2,(H,23,27)
InChIKeyVZFXGLRQPIMYPQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 39315966
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
CID 60584916
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 47029289) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is VZFXGLRQPIMYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-21(10-5-13-25-16-24-19-8-3-2-7-18(19)22(25)28)23-12-15-31(29,30)26-14-11-17-6-1-4-9-20(17)26/h1-4,6-9,16H,5,10-15H2,(H,23,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 440.53 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 47029289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).