N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

C18H19ClN4OS2 — CID 17426578

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC)c2ccccc2n1
InChIInChI=1S/C18H19ClN4OS2/c1-3-23(10-12-8-9-15(19)26-12)16(24)11-25-18-21-14-7-5-4-6-13(14)17(20-2)22-18/h4-9H,3,10-11H2,1-2H3,(H,20,21,22)
InChIKeyCYTNCOABSKAZNZ-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.53
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 17426578) has the molecular formula C18H19ClN4OS2 and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID17426578
Molecular FormulaC18H19ClN4OS2
Molecular Weight406.96 g/mol
Exact Mass406.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC)c2ccccc2n1
InChIInChI=1S/C18H19ClN4OS2/c1-3-23(10-12-8-9-15(19)26-12)16(24)11-25-18-21-14-7-5-4-6-13(14)17(20-2)22-18/h4-9H,3,10-11H2,1-2H3,(H,20,21,22)
InChIKeyCYTNCOABSKAZNZ-UHFFFAOYSA-N
XLogP4.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 24528477
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 9006299
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290072
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577236
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8581512
3-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 43027757
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 31938450
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9073543
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylacetamide
CID 55361145
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 8562149
N-[4-[(5-chlorothiophen-2-yl)methyl-ethylamino]-4-oxobutyl]benzamide
CID 34132705
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide (CID 17426578) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC)c2ccccc2n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is CYTNCOABSKAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS2/c1-3-23(10-12-8-9-15(19)26-12)16(24)11-25-18-21-14-7-5-4-6-13(14)17(20-2)22-18/h4-9H,3,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 406.96 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 17426578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).