N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide

C22H30N4O5S — CID 53298133

IUPACN-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1
InChIInChI=1S/C22H30N4O5S/c1-4-14-26(16-8-6-5-7-9-16)20(27)12-13-23-32(30,31)17-10-11-19-18(15-17)21(28)25(3)22(29)24(19)2/h4,10-11,15-16,23H,1,5-9,12-14H2,2-3H3
InChIKeyIQMKTUDLEKLFOO-UHFFFAOYSA-N
MW462.57 g/mol
LogP1.25
Rot. Bonds8

About N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide

N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide (PubChem CID 53298133) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide
PubChem CID53298133
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1
InChIInChI=1S/C22H30N4O5S/c1-4-14-26(16-8-6-5-7-9-16)20(27)12-13-23-32(30,31)17-10-11-19-18(15-17)21(28)25(3)22(29)24(19)2/h4,10-11,15-16,23H,1,5-9,12-14H2,2-3H3
InChIKeyIQMKTUDLEKLFOO-UHFFFAOYSA-N
XLogP1.25
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
CID 46257551
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 46257550
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
CID 51066200
N-cyclooctyl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 46389273
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide?
The IUPAC name of N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide (CID 53298133) is N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide is C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide?
The InChIKey is IQMKTUDLEKLFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-4-14-26(16-8-6-5-7-9-16)20(27)12-13-23-32(30,31)17-10-11-19-18(15-17)21(28)25(3)22(29)24(19)2/h4,10-11,15-16,23H,1,5-9,12-14H2,2-3H3.
What are the key properties of N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide?
N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide has a molecular weight of 462.57 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 53298133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).