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

C22H31N3O6S — CID 67022124

IUPAC3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H31N3O6S/c1-22(2,12-6-14-30-16-25-13-11-20(26)23-21(25)27)24-32(28,29)19-10-5-9-18(15-19)31-17-7-3-4-8-17/h5,9-11,13,15,17,24H,3-4,6-8,12,14,16H2,1-2H3,(H,23,26,27)
InChIKeyNELPOTLJIRGWHD-UHFFFAOYSA-N
MW465.57 g/mol
LogP2.37
Rot. Bonds11

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

3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide (PubChem CID 67022124) has the molecular formula C22H31N3O6S and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
PubChem CID67022124
Molecular FormulaC22H31N3O6S
Molecular Weight465.57 g/mol
Exact Mass465.19
IUPAC Name3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H31N3O6S/c1-22(2,12-6-14-30-16-25-13-11-20(26)23-21(25)27)24-32(28,29)19-10-5-9-18(15-19)31-17-7-3-4-8-17/h5,9-11,13,15,17,24H,3-4,6-8,12,14,16H2,1-2H3,(H,23,26,27)
InChIKeyNELPOTLJIRGWHD-UHFFFAOYSA-N
XLogP2.37
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Uracil, 5-fluoro-N-((p-(2-methylpropoxy)phenyl)sulfonyl)-
CID 935600
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
3-cyclopentyloxy-N-[2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
CID 60154750
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-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]-3-methoxybenzenesulfonamide
CID 57386528
N-[(3-cyclopentyloxyphenyl)methyl]-3-[(2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 44544452
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-(cyclopropylmethoxy)-N-[1-[3-(2,4-dioxopyrimidin-1-yl)propoxy]-2-methylpropan-2-yl]benzenesulfonamide
CID 67022143

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide (CID 67022124) is 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide is CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is NELPOTLJIRGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S/c1-22(2,12-6-14-30-16-25-13-11-20(26)23-21(25)27)24-32(28,29)19-10-5-9-18(15-19)31-17-7-3-4-8-17/h5,9-11,13,15,17,24H,3-4,6-8,12,14,16H2,1-2H3,(H,23,26,27).
What are the key properties of 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide?
3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 465.57 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[5-[(2,4-dioxopyrimidin-1-yl)methoxy]-2-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).