N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide

C28H26N4O3S — CID 41259058

IUPACN-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESC[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc2c1=O
InChIInChI=1S/C28H26N4O3S/c1-18(19-9-3-2-4-10-19)32-27(35)22-12-6-8-14-24(22)31-28(32)36-17-25(33)30-23-13-7-5-11-21(23)26(34)29-20-15-16-20/h2-14,18,20H,15-17H2,1H3,(H,29,34)(H,30,33)/t18-/m1/s1
InChIKeyOZWSYQISUNCALI-GOSISDBHSA-N
MW498.61 g/mol
LogP4.63
Rot. Bonds8

About N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide

N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 41259058) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID41259058
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC NameN-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide
SMILESC[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc2c1=O
InChIInChI=1S/C28H26N4O3S/c1-18(19-9-3-2-4-10-19)32-27(35)22-12-6-8-14-24(22)31-28(32)36-17-25(33)30-23-13-7-5-11-21(23)26(34)29-20-15-16-20/h2-14,18,20H,15-17H2,1H3,(H,29,34)(H,30,33)/t18-/m1/s1
InChIKeyOZWSYQISUNCALI-GOSISDBHSA-N
XLogP4.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16534199
N-benzyl-2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118284
N-benzyl-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide
CID 2118283
N-(5-chloro-2-pyridinyl)-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 24604103
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 5217741
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 2564088
N-cyclopropyl-4-[[4-oxo-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylquinazolin-3-yl]methyl]benzamide
CID 4122770
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide (CID 41259058) is N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide is C[C@H](c1ccccc1)n1c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)nc2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is OZWSYQISUNCALI-GOSISDBHSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-18(19-9-3-2-4-10-19)32-27(35)22-12-6-8-14-24(22)31-28(32)36-17-25(33)30-23-13-7-5-11-21(23)26(34)29-20-15-16-20/h2-14,18,20H,15-17H2,1H3,(H,29,34)(H,30,33)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 498.61 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 41259058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).