5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

C17H16N4O3S — CID 135886880

IUPAC5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C17H16N4O3S/c1-10(22)18-15-8-7-13(25-15)17(24)21(2)9-14-19-12-6-4-3-5-11(12)16(23)20-14/h3-8H,9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyADNUKYIJRIXUNM-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.22
Rot. Bonds4

About 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 135886880) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID135886880
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C17H16N4O3S/c1-10(22)18-15-8-7-13(25-15)17(24)21(2)9-14-19-12-6-4-3-5-11(12)16(23)20-14/h3-8H,9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyADNUKYIJRIXUNM-UHFFFAOYSA-N
XLogP2.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 135899747
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
CID 135876422
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135877147
(2S)-N,2-dimethyl-3-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 135787529
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylsulfanylethyl)urea
CID 135549209
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (CID 135886880) is 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ADNUKYIJRIXUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10(22)18-15-8-7-13(25-15)17(24)21(2)9-14-19-12-6-4-3-5-11(12)16(23)20-14/h3-8H,9H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135886880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).