N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

C20H27N3O5S — CID 53232935

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C20H27N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,9,11,13,15,18,22H,2,4,7-8,10,12,14H2,1H3,(H,21,24,25)/t18-/m1/s1
InChIKeyZBQHBTWRHZETFT-GOSISDBHSA-N
MW421.52 g/mol
LogP1.79
Rot. Bonds11

About N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (PubChem CID 53232935) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
PubChem CID53232935
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C20H27N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,9,11,13,15,18,22H,2,4,7-8,10,12,14H2,1H3,(H,21,24,25)/t18-/m1/s1
InChIKeyZBQHBTWRHZETFT-GOSISDBHSA-N
XLogP1.79
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]butyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
CID 146353091
N-[[3-(cyclopropylmethoxy)phenyl]-phenylmethyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
CID 67022228
1-[5-[2-[1-[3-(cyclopropylmethoxy)phenyl]propyl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399595
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218164
N-[[3-(cyclopropylmethoxy)phenyl]-phenylmethyl]-3-[(2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 67021759
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]but-3-ene-1-sulfonamide
CID 134541356
N-[3-[3-(cyclopropylmethoxy)phenyl]pentan-3-yl]-3-[(2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 67022059
1-[3-[2-[3-(cyclopropylmethoxy)phenyl]-3-methylbutyl]sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218460
1-[3-[2-[3-(cyclopropylmethoxy)phenyl]-2-methylpropyl]sulfonylpropoxymethyl]pyrimidine-2,4-dione
CID 58218424
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-5-(2,4-dioxopyrimidin-1-yl)pent-3-ene-1-sulfonamide
CID 67022213
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(2,4-dioxopyrimidin-1-yl)-N-methoxypropane-1-sulfonamide
CID 44544448

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide (CID 53232935) is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
The InChIKey is ZBQHBTWRHZETFT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-2-18(16-5-3-6-17(13-16)28-14-15-7-8-15)22-29(26,27)12-4-10-23-11-9-19(24)21-20(23)25/h3,5-6,9,11,13,15,18,22H,2,4,7-8,10,12,14H2,1H3,(H,21,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide has a molecular weight of 421.52 g/mol, XLogP of 1.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 53232935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).