N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C22H30ClN3O5S — CID 134553812

IUPACN-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NC2CCCc3c2ccc(Cl)c3OCC2CC2)C(=O)N1
InChIInChI=1S/C22H30ClN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h9-10,15,19,25H,1-8,11-14H2,(H,24,27,28)
InChIKeyJTUOWAPMJIFVHE-UHFFFAOYSA-N
MW484.02 g/mol
LogP3.15
Rot. Bonds11

About N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134553812) has the molecular formula C22H30ClN3O5S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134553812
Molecular FormulaC22H30ClN3O5S
Molecular Weight484.02 g/mol
Exact Mass483.16
IUPAC NameN-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NC2CCCc3c2ccc(Cl)c3OCC2CC2)C(=O)N1
InChIInChI=1S/C22H30ClN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h9-10,15,19,25H,1-8,11-14H2,(H,24,27,28)
InChIKeyJTUOWAPMJIFVHE-UHFFFAOYSA-N
XLogP3.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134553812) is N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is O=C1CN(CCCCCS(=O)(=O)NC2CCCc3c2ccc(Cl)c3OCC2CC2)C(=O)N1.
What is the InChIKey of N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is JTUOWAPMJIFVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O5S/c23-18-10-9-16-17(21(18)31-14-15-7-8-15)5-4-6-19(16)25-32(29,30)12-3-1-2-11-26-13-20(27)24-22(26)28/h9-10,15,19,25H,1-8,11-14H2,(H,24,27,28).
What are the key properties of N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 484.02 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134553812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).