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

C20H28ClN3O5S — CID 134541375

IUPACN-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C20H28ClN3O5S/c1-14(16-7-8-17(21)18(11-16)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,22,25,26)
InChIKeySNTPQPIPUGWJHP-UHFFFAOYSA-N
MW457.98 g/mol
LogP2.83
Rot. Bonds12

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

N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134541375) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134541375
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC NameN-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C20H28ClN3O5S/c1-14(16-7-8-17(21)18(11-16)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,22,25,26)
InChIKeySNTPQPIPUGWJHP-UHFFFAOYSA-N
XLogP2.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 52.83
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-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134541375) is N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(Cl)c(OCC2CC2)c1.
What is the InChIKey of N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is SNTPQPIPUGWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c1-14(16-7-8-17(21)18(11-16)29-13-15-5-6-15)23-30(27,28)10-4-2-3-9-24-12-19(25)22-20(24)26/h7-8,11,14-15,23H,2-6,9-10,12-13H2,1H3,(H,22,25,26).
What are the key properties of N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[1-[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 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134541375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).