N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide

C18H25N3O6S — CID 57386528

IUPACN-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)(C)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C18H25N3O6S/c1-18(2,20-28(24,25)15-7-4-6-14(12-15)26-3)9-5-11-27-13-21-10-8-16(22)19-17(21)23/h4,6-8,10,12,20H,5,9,11,13H2,1-3H3,(H,19,22,23)
InChIKeyPYDAKBNJFHKEOT-UHFFFAOYSA-N
MW411.48 g/mol
LogP1.06
Rot. Bonds10

About N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide

N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide (PubChem CID 57386528) has the molecular formula C18H25N3O6S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide
PubChem CID57386528
Molecular FormulaC18H25N3O6S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC NameN-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)(C)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C18H25N3O6S/c1-18(2,20-28(24,25)15-7-4-6-14(12-15)26-3)9-5-11-27-13-21-10-8-16(22)19-17(21)23/h4,6-8,10,12,20H,5,9,11,13H2,1-3H3,(H,19,22,23)
InChIKeyPYDAKBNJFHKEOT-UHFFFAOYSA-N
XLogP1.06
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopropylmethoxy)-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
CID 57386789
3-(cyclopropylmethoxy)-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154848
N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]-3-methoxybenzenesulfonamide
CID 60154753
3-cyclopentyloxy-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154849
3-(2,2-difluoroethoxy)-N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]benzenesulfonamide
CID 60154850
N-[2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propan-2-yl]-3-methoxybenzenesulfonamide
CID 60156119
3-(cyclopropylmethoxy)-N-[1-[3-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl]cyclopropyl]benzenesulfonamide
CID 58218248
3-(cyclopropylmethoxy)-N-[4-[(2,4-dioxopyrimidin-1-yl)methoxy]butyl]benzenesulfonamide
CID 58218268
3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
CID 67022124
3-(cyclopropylmethoxy)-N-[1-[3-(2,4-dioxopyrimidin-1-yl)propoxy]-2-methylpropan-2-yl]benzenesulfonamide
CID 67022143
3-(2,2-difluoroethoxy)-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
CID 87239672
Uracil, 5-fluoro-N-((p-methoxyphenyl)sulfonyl)-
CID 826377

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide (CID 57386528) is N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC(C)(C)CCCOCn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide?
The InChIKey is PYDAKBNJFHKEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6S/c1-18(2,20-28(24,25)15-7-4-6-14(12-15)26-3)9-5-11-27-13-21-10-8-16(22)19-17(21)23/h4,6-8,10,12,20H,5,9,11,13H2,1-3H3,(H,19,22,23).
What are the key properties of N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide?
N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 57386528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).