N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C24H29N3O2S — CID 42981563

IUPACN-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCC(C)CCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O2S/c1-17(2)14-15-27-23(29)20-12-8-9-13-21(20)25-24(27)30-18(3)22(28)26(4)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3
InChIKeySZNTYFLAOSYKKG-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.58
Rot. Bonds8

About N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 42981563) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID42981563
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCC(C)CCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O2S/c1-17(2)14-15-27-23(29)20-12-8-9-13-21(20)25-24(27)30-18(3)22(28)26(4)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3
InChIKeySZNTYFLAOSYKKG-UHFFFAOYSA-N
XLogP4.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8521264
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521331
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 55373117
(2R)-N-carbamoyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465805
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
CID 84603727
N-benzyl-N-ethyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 42975957
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 7856781
(2S)-N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7713139
(2S)-N-(2-cyanophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7713148
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 42981563) is N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is CC(C)CCn1c(SC(C)C(=O)N(C)Cc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is SZNTYFLAOSYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-17(2)14-15-27-23(29)20-12-8-9-13-21(20)25-24(27)30-18(3)22(28)26(4)16-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 423.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 42981563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).