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

C23H32ClN3O5S — CID 134553490

IUPACN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)N[C@H](CC2CC2)c2ccc(Cl)c(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C23H32ClN3O5S/c24-19-9-8-18(13-21(19)32-15-17-6-7-17)20(12-16-4-5-16)26-33(30,31)11-3-1-2-10-27-14-22(28)25-23(27)29/h8-9,13,16-17,20,26H,1-7,10-12,14-15H2,(H,25,28,29)/t20-/m1/s1
InChIKeyRPHNANNUFWXKEX-HXUWFJFHSA-N
MW498.05 g/mol
LogP3.61
Rot. Bonds14

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

N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134553490) has the molecular formula C23H32ClN3O5S and a molecular weight of 498.05 g/mol. Its IUPAC name is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134553490
Molecular FormulaC23H32ClN3O5S
Molecular Weight498.05 g/mol
Exact Mass497.18
IUPAC NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESO=C1CN(CCCCCS(=O)(=O)N[C@H](CC2CC2)c2ccc(Cl)c(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C23H32ClN3O5S/c24-19-9-8-18(13-21(19)32-15-17-6-7-17)20(12-16-4-5-16)26-33(30,31)11-3-1-2-10-27-14-22(28)25-23(27)29/h8-9,13,16-17,20,26H,1-7,10-12,14-15H2,(H,25,28,29)/t20-/m1/s1
InChIKeyRPHNANNUFWXKEX-HXUWFJFHSA-N
XLogP3.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.61
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)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134553490) is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is O=C1CN(CCCCCS(=O)(=O)N[C@H](CC2CC2)c2ccc(Cl)c(OCC3CC3)c2)C(=O)N1.
What is the InChIKey of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is RPHNANNUFWXKEX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32ClN3O5S/c24-19-9-8-18(13-21(19)32-15-17-6-7-17)20(12-16-4-5-16)26-33(30,31)11-3-1-2-10-27-14-22(28)25-23(27)29/h8-9,13,16-17,20,26H,1-7,10-12,14-15H2,(H,25,28,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 498.05 g/mol, XLogP of 3.61, 14 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)phenyl]-2-cyclopropylethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134553490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).