2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

C19H20N4O3S2 — CID 8726324

IUPAC2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCC(C)n1c(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O3S2/c1-10(2)23-18(26)12-6-4-5-7-14(12)21-19(23)28-11(3)16(25)22-17-13(15(20)24)8-9-27-17/h4-11H,1-3H3,(H2,20,24)(H,22,25)/t11-/m0/s1
InChIKeyDXTHMMWAZSXLRD-NSHDSACASA-N
MW416.53 g/mol
LogP3.26
Rot. Bonds6

About 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (PubChem CID 8726324) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
PubChem CID8726324
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCC(C)n1c(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C19H20N4O3S2/c1-10(2)23-18(26)12-6-4-5-7-14(12)21-19(23)28-11(3)16(25)22-17-13(15(20)24)8-9-27-17/h4-11H,1-3H3,(H2,20,24)(H,22,25)/t11-/m0/s1
InChIKeyDXTHMMWAZSXLRD-NSHDSACASA-N
XLogP3.26
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 42985932
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
(2R)-N-(2-fluorophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427759
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 42985106
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726369
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235207
2-[[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 41321505
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 8726103
(2R)-N-(ethylcarbamoyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 2639363
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23942562
2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23914651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (CID 8726324) is 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is CC(C)n1c(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The InChIKey is DXTHMMWAZSXLRD-NSHDSACASA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-10(2)23-18(26)12-6-4-5-7-14(12)21-19(23)28-11(3)16(25)22-17-13(15(20)24)8-9-27-17/h4-11H,1-3H3,(H2,20,24)(H,22,25)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8726324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).