N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide

C21H24N4O2S2 — CID 25451624

IUPACN-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H24N4O2S2/c1-24(12-16-6-11-28-14-16)20(26)15-29-21-17-4-2-3-5-18(17)22-19(23-21)13-25-7-9-27-10-8-25/h2-6,11,14H,7-10,12-13,15H2,1H3
InChIKeyJPQOZNKUAXFFNB-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.27
Rot. Bonds7

About N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 25451624) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID25451624
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H24N4O2S2/c1-24(12-16-6-11-28-14-16)20(26)15-29-21-17-4-2-3-5-18(17)22-19(23-21)13-25-7-9-27-10-8-25/h2-6,11,14H,7-10,12-13,15H2,1H3
InChIKeyJPQOZNKUAXFFNB-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 17440826
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678837
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
CID 24585303
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9006502
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30281892

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide (CID 25451624) is N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is JPQOZNKUAXFFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-24(12-16-6-11-28-14-16)20(26)15-29-21-17-4-2-3-5-18(17)22-19(23-21)13-25-7-9-27-10-8-25/h2-6,11,14H,7-10,12-13,15H2,1H3.
What are the key properties of N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 428.58 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 25451624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).