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

C20H28ClN3O5S — CID 134544149

IUPACN-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NCCc2ccc(Cl)c(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C20H28ClN3O5S/c21-17-7-6-15(12-18(17)29-14-16-4-5-16)8-9-22-30(27,28)11-3-1-2-10-24-13-19(25)23-20(24)26/h6-7,12,16,22H,1-5,8-11,13-14H2,(H,23,25,26)
InChIKeyIRBPAHRBVACCIV-UHFFFAOYSA-N
MW457.98 g/mol
LogP2.31
Rot. Bonds13

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

N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134544149) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134544149
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC NameN-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)NCCc2ccc(Cl)c(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C20H28ClN3O5S/c21-17-7-6-15(12-18(17)29-14-16-4-5-16)8-9-22-30(27,28)11-3-1-2-10-24-13-19(25)23-20(24)26/h6-7,12,16,22H,1-5,8-11,13-14H2,(H,23,25,26)
InChIKeyIRBPAHRBVACCIV-UHFFFAOYSA-N
XLogP2.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 52.31
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-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134544149) is N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is O=C1CN(CCCCCS(=O)(=O)NCCc2ccc(Cl)c(OCC3CC3)c2)C(=O)N1.
What is the InChIKey of N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is IRBPAHRBVACCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c21-17-7-6-15(12-18(17)29-14-16-4-5-16)8-9-22-30(27,28)11-3-1-2-10-24-13-19(25)23-20(24)26/h6-7,12,16,22H,1-5,8-11,13-14H2,(H,23,25,26).
What are the key properties of N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 457.98 g/mol, XLogP of 2.31, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134544149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).