(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide

C29H28N4O4S — CID 98331508

IUPAC(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C29H28N4O4S/c1-4-25(27(34)31-22-15-14-19(36-2)17-24(22)37-3)38-29-32-21-13-9-8-12-20(21)26-30-23(28(35)33(26)29)16-18-10-6-5-7-11-18/h5-15,17,23,25H,4,16H2,1-3H3,(H,31,34)/t23-,25+/m1/s1
InChIKeyLAKPQNIGQSHJRW-NOZRDPDXSA-N
MW528.63 g/mol
LogP5.06
Rot. Bonds8

About (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide

(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide (PubChem CID 98331508) has the molecular formula C29H28N4O4S and a molecular weight of 528.63 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
PubChem CID98331508
Molecular FormulaC29H28N4O4S
Molecular Weight528.63 g/mol
Exact Mass528.18
IUPAC Name(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
SMILESCC[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C29H28N4O4S/c1-4-25(27(34)31-22-15-14-19(36-2)17-24(22)37-3)38-29-32-21-13-9-8-12-20(21)26-30-23(28(35)33(26)29)16-18-10-6-5-7-11-18/h5-15,17,23,25H,4,16H2,1-3H3,(H,31,34)/t23-,25+/m1/s1
InChIKeyLAKPQNIGQSHJRW-NOZRDPDXSA-N
XLogP5.06
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 50798563
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750724
(2R)-N-(2,4-dimethoxyphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92712213
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122
N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336710
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2R)-N-(3-methoxyphenyl)-2-[[(2S)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357650
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 3441649
(2R)-N-(4-ethylphenyl)-2-[[(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357613
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide?
The IUPAC name of (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide (CID 98331508) is (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide is CC[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide?
The InChIKey is LAKPQNIGQSHJRW-NOZRDPDXSA-N. The full InChI is InChI=1S/C29H28N4O4S/c1-4-25(27(34)31-22-15-14-19(36-2)17-24(22)37-3)38-29-32-21-13-9-8-12-20(21)26-30-23(28(35)33(26)29)16-18-10-6-5-7-11-18/h5-15,17,23,25H,4,16H2,1-3H3,(H,31,34)/t23-,25+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide?
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide has a molecular weight of 528.63 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 98331508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).