N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide

C23H26N4O2S — CID 1442832

IUPACN-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)c1nc(SCC(=O)Nc2ccccc2N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C23H26N4O2S/c1-16(2)22-25-18-8-4-3-7-17(18)23(26-22)30-15-21(28)24-19-9-5-6-10-20(19)27-11-13-29-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyTVFWHQRLUGBNOH-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.32
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide

N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442832) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442832
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCC(C)c1nc(SCC(=O)Nc2ccccc2N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C23H26N4O2S/c1-16(2)22-25-18-8-4-3-7-17(18)23(26-22)30-15-21(28)24-19-9-5-6-10-20(19)27-11-13-29-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyTVFWHQRLUGBNOH-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442803
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 43811398
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1450315
N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
CID 22425713
N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3605716
N-(4-morpholin-4-ylphenyl)-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 1442655

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide (CID 1442832) is N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is CC(C)c1nc(SCC(=O)Nc2ccccc2N2CCOCC2)c2ccccc2n1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is TVFWHQRLUGBNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(2)22-25-18-8-4-3-7-17(18)23(26-22)30-15-21(28)24-19-9-5-6-10-20(19)27-11-13-29-14-12-27/h3-10,16H,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 422.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).