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

C21H30ClN3O5S — CID 134553720

IUPACN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C21H30ClN3O5S/c1-2-18(16-8-9-17(22)19(12-16)30-14-15-6-7-15)24-31(28,29)11-5-3-4-10-25-13-20(26)23-21(25)27/h8-9,12,15,18,24H,2-7,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
InChIKeyRBRVZZPBSZYMCJ-GOSISDBHSA-N
MW472.01 g/mol
LogP3.22
Rot. Bonds13

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

N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134553720) has the molecular formula C21H30ClN3O5S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134553720
Molecular FormulaC21H30ClN3O5S
Molecular Weight472.01 g/mol
Exact Mass471.16
IUPAC NameN-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C21H30ClN3O5S/c1-2-18(16-8-9-17(22)19(12-16)30-14-15-6-7-15)24-31(28,29)11-5-3-4-10-25-13-20(26)23-21(25)27/h8-9,12,15,18,24H,2-7,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1
InChIKeyRBRVZZPBSZYMCJ-GOSISDBHSA-N
XLogP3.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 53.22
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]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134553720) is N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is RBRVZZPBSZYMCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30ClN3O5S/c1-2-18(16-8-9-17(22)19(12-16)30-14-15-6-7-15)24-31(28,29)11-5-3-4-10-25-13-20(26)23-21(25)27/h8-9,12,15,18,24H,2-7,10-11,13-14H2,1H3,(H,23,26,27)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[4-chloro-3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 472.01 g/mol, XLogP of 3.22, 13 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]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134553720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).