N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

C21H22ClN3O3S2 — CID 40918667

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C21H22ClN3O3S2/c1-24(12-15-8-9-18(22)30-15)19(26)13-29-21-23-17-7-3-2-6-16(17)20(27)25(21)11-14-5-4-10-28-14/h2-3,6-9,14H,4-5,10-13H2,1H3/t14-/m1/s1
InChIKeyQVCZFWRCUBNFCV-CQSZACIVSA-N
MW464.01 g/mol
LogP4.04
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (PubChem CID 40918667) has the molecular formula C21H22ClN3O3S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
PubChem CID40918667
Molecular FormulaC21H22ClN3O3S2
Molecular Weight464.01 g/mol
Exact Mass463.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C21H22ClN3O3S2/c1-24(12-15-8-9-18(22)30-15)19(26)13-29-21-23-17-7-3-2-6-16(17)20(27)25(21)11-14-5-4-10-28-14/h2-3,6-9,14H,4-5,10-13H2,1H3/t14-/m1/s1
InChIKeyQVCZFWRCUBNFCV-CQSZACIVSA-N
XLogP4.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869023
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 24591737
N-cyclohexyl-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515514
2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828639
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826
N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 8581810
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 55319353
2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 4828396
N-(2-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1071954
2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 4611674
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 3149137

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (CID 40918667) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
The InChIKey is QVCZFWRCUBNFCV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22ClN3O3S2/c1-24(12-15-8-9-18(22)30-15)19(26)13-29-21-23-17-7-3-2-6-16(17)20(27)25(21)11-14-5-4-10-28-14/h2-3,6-9,14H,4-5,10-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 464.01 g/mol, XLogP of 4.04, 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-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 40918667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).