N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C21H34N4O6S — CID 155370046

IUPACN-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCc1c([C@@H](CC(C)C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)noc1OCC1CC1
InChIInChI=1S/C21H34N4O6S/c1-14(2)11-17(19-15(3)20(31-23-19)30-13-16-7-8-16)24-32(28,29)10-6-4-5-9-25-12-18(26)22-21(25)27/h14,16-17,24H,4-13H2,1-3H3,(H,22,26,27)/t17-/m1/s1
InChIKeyNDQLSQJTXUKPAW-QGZVFWFLSA-N
MW470.59 g/mol
LogP2.50
Rot. Bonds14

About N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 155370046) has the molecular formula C21H34N4O6S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID155370046
Molecular FormulaC21H34N4O6S
Molecular Weight470.59 g/mol
Exact Mass470.22
IUPAC NameN-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCc1c([C@@H](CC(C)C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)noc1OCC1CC1
InChIInChI=1S/C21H34N4O6S/c1-14(2)11-17(19-15(3)20(31-23-19)30-13-16-7-8-16)24-32(28,29)10-6-4-5-9-25-12-18(26)22-21(25)27/h14,16-17,24H,4-13H2,1-3H3,(H,22,26,27)/t17-/m1/s1
InChIKeyNDQLSQJTXUKPAW-QGZVFWFLSA-N
XLogP2.50
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[1-[3-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553913
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 157177623
N-[5-(cyclopropylmethoxy)-6-fluoronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370192
1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158116112
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
CID 147072969
N-[(1S)-1-(2,4-difluoro-3-propoxyphenyl)ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370304
N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553813

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 155370046) is N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is Cc1c([C@@H](CC(C)C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)noc1OCC1CC1.
What is the InChIKey of N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is NDQLSQJTXUKPAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N4O6S/c1-14(2)11-17(19-15(3)20(31-23-19)30-13-16-7-8-16)24-32(28,29)10-6-4-5-9-25-12-18(26)22-21(25)27/h14,16-17,24H,4-13H2,1-3H3,(H,22,26,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 470.59 g/mol, XLogP of 2.50, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 155370046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).