2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

C24H24N4O5S2 — CID 20865859

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3cccs3)ccc2n(C)c1=O
InChIInChI=1S/C24H24N4O5S2/c1-27-21-11-10-18(14-19(21)23(30)28(2)24(27)31)35(32,33)26-20(13-16-7-4-3-5-8-16)22(29)25-15-17-9-6-12-34-17/h3-12,14,20,26H,13,15H2,1-2H3,(H,25,29)
InChIKeySPPOSVOPLMOFPB-UHFFFAOYSA-N
MW512.61 g/mol
LogP1.50
Rot. Bonds8

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 20865859) has the molecular formula C24H24N4O5S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID20865859
Molecular FormulaC24H24N4O5S2
Molecular Weight512.61 g/mol
Exact Mass512.12
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3cccs3)ccc2n(C)c1=O
InChIInChI=1S/C24H24N4O5S2/c1-27-21-11-10-18(14-19(21)23(30)28(2)24(27)31)35(32,33)26-20(13-16-7-4-3-5-8-16)22(29)25-15-17-9-6-12-34-17/h3-12,14,20,26H,13,15H2,1-2H3,(H,25,29)
InChIKeySPPOSVOPLMOFPB-UHFFFAOYSA-N
XLogP1.50
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
CID 20865843
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
CID 20865863
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 20865885
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
N-(4-ethylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20864229
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
N-(2,4-dimethylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20864234
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide (CID 20865859) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCc3cccs3)ccc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is SPPOSVOPLMOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S2/c1-27-21-11-10-18(14-19(21)23(30)28(2)24(27)31)35(32,33)26-20(13-16-7-4-3-5-8-16)22(29)25-15-17-9-6-12-34-17/h3-12,14,20,26H,13,15H2,1-2H3,(H,25,29).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 512.61 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 20865859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).