(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide

C23H28N4O5S — CID 135877077

IUPAC(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C23H28N4O5S/c1-15(2)13-20(26-33(30,31)17-11-9-16(32-4)10-12-17)23(29)27(3)14-21-24-19-8-6-5-7-18(19)22(28)25-21/h5-12,15,20,26H,13-14H2,1-4H3,(H,24,25,28)/t20-/m1/s1
InChIKeyWAFDWYKPPQYRSU-HXUWFJFHSA-N
MW472.57 g/mol
LogP2.28
Rot. Bonds9

About (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide

(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide (PubChem CID 135877077) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
PubChem CID135877077
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C23H28N4O5S/c1-15(2)13-20(26-33(30,31)17-11-9-16(32-4)10-12-17)23(29)27(3)14-21-24-19-8-6-5-7-18(19)22(28)25-21/h5-12,15,20,26H,13-14H2,1-4H3,(H,24,25,28)/t20-/m1/s1
InChIKeyWAFDWYKPPQYRSU-HXUWFJFHSA-N
XLogP2.28
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide with MolForge

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135939340
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24550008
3-(4-methoxy-2-nitrophenyl)-1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135949290
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135971089
4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 135509255
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667
2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962144
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide (CID 135877077) is (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide is COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The InChIKey is WAFDWYKPPQYRSU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-15(2)13-20(26-33(30,31)17-11-9-16(32-4)10-12-17)23(29)27(3)14-21-24-19-8-6-5-7-18(19)22(28)25-21/h5-12,15,20,26H,13-14H2,1-4H3,(H,24,25,28)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide has a molecular weight of 472.57 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide is sourced from PubChem (CID 135877077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).