N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

C18H20N4O3S — CID 30856713

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCN(C)[C@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccsc1
InChIInChI=1S/C18H20N4O3S/c1-21(2)15(12-7-8-26-11-12)9-19-16(23)10-22-14-6-4-3-5-13(14)17(24)20-18(22)25/h3-8,11,15H,9-10H2,1-2H3,(H,19,23)(H,20,24,25)/t15-/m1/s1
InChIKeyQCPREHDLTFYNMS-OAHLLOKOSA-N
MW372.45 g/mol
LogP1.17
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 30856713) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID30856713
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCN(C)[C@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccsc1
InChIInChI=1S/C18H20N4O3S/c1-21(2)15(12-7-8-26-11-12)9-19-16(23)10-22-14-6-4-3-5-13(14)17(24)20-18(22)25/h3-8,11,15H,9-10H2,1-2H3,(H,19,23)(H,20,24,25)/t15-/m1/s1
InChIKeyQCPREHDLTFYNMS-OAHLLOKOSA-N
XLogP1.17
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30526206
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 32631997
methyl 1-[2-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-2-oxoethyl]indole-3-carboxylate
CID 46446775
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 34457663
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 32634277
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51927628
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46592044

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (CID 30856713) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is CN(C)[C@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is QCPREHDLTFYNMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-21(2)15(12-7-8-26-11-12)9-19-16(23)10-22-14-6-4-3-5-13(14)17(24)20-18(22)25/h3-8,11,15H,9-10H2,1-2H3,(H,19,23)(H,20,24,25)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 30856713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).