N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

C21H23ClN4O2S2 — CID 17440826

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H23ClN4O2S2/c1-25(12-15-6-7-18(22)30-15)20(27)14-29-21-16-4-2-3-5-17(16)23-19(24-21)13-26-8-10-28-11-9-26/h2-7H,8-14H2,1H3
InChIKeyPAUZWCOJBUDCSD-UHFFFAOYSA-N
MW463.03 g/mol
LogP3.93
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 17440826) has the molecular formula C21H23ClN4O2S2 and a molecular weight of 463.03 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID17440826
Molecular FormulaC21H23ClN4O2S2
Molecular Weight463.03 g/mol
Exact Mass462.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C21H23ClN4O2S2/c1-25(12-15-6-7-18(22)30-15)20(27)14-29-21-16-4-2-3-5-17(16)23-19(24-21)13-26-8-10-28-11-9-26/h2-7H,8-14H2,1H3
InChIKeyPAUZWCOJBUDCSD-UHFFFAOYSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide with MolForge

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Related Compounds

N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 25451624
4-[[4-[(5-chlorothiophen-2-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 30091306
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678837
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
3-(N-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]anilino)propanamide
CID 24585303
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 24528477
4-[[4-(2-phenylethylsulfanyl)quinazolin-2-yl]methyl]morpholine
CID 52545224
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-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (CID 17440826) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is PAUZWCOJBUDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S2/c1-25(12-15-6-7-18(22)30-15)20(27)14-29-21-16-4-2-3-5-17(16)23-19(24-21)13-26-8-10-28-11-9-26/h2-7H,8-14H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 463.03 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 17440826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).