N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C20H27ClFN3O5S — CID 155370094

IUPACN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(F)c(Cl)c(OCC2CC2)c1
InChIInChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(22)19(21)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyVPQDPKPOKNROIA-CYBMUJFWSA-N
MW475.97 g/mol
LogP2.97
Rot. Bonds12

About N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 155370094) has the molecular formula C20H27ClFN3O5S and a molecular weight of 475.97 g/mol. Its IUPAC name is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID155370094
Molecular FormulaC20H27ClFN3O5S
Molecular Weight475.97 g/mol
Exact Mass475.13
IUPAC NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(F)c(Cl)c(OCC2CC2)c1
InChIInChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(22)19(21)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1
InChIKeyVPQDPKPOKNROIA-CYBMUJFWSA-N
XLogP2.97
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 52.97
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-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 155370094) is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(F)c(Cl)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is VPQDPKPOKNROIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClFN3O5S/c1-13(15-9-16(22)19(21)17(10-15)30-12-14-5-6-14)24-31(28,29)8-4-2-3-7-25-11-18(26)23-20(25)27/h9-10,13-14,24H,2-8,11-12H2,1H3,(H,23,26,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 475.97 g/mol, XLogP of 2.97, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 155370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).