N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide

C22H30FN3O5S — CID 134553899

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
SMILESC[C@@]1(CCCCCS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C22H30FN3O5S/c1-21(19(27)24-20(28)25-21)9-3-2-4-12-32(29,30)26-22(10-11-22)16-7-8-17(23)18(13-16)31-14-15-5-6-15/h7-8,13,15,26H,2-6,9-12,14H2,1H3,(H2,24,25,27,28)/t21-/m0/s1
InChIKeyMQFXGEQQGWVIJH-NRFANRHFSA-N
MW467.56 g/mol
LogP2.68
Rot. Bonds12

About N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide (PubChem CID 134553899) has the molecular formula C22H30FN3O5S and a molecular weight of 467.56 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
PubChem CID134553899
Molecular FormulaC22H30FN3O5S
Molecular Weight467.56 g/mol
Exact Mass467.19
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide
SMILESC[C@@]1(CCCCCS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C22H30FN3O5S/c1-21(19(27)24-20(28)25-21)9-3-2-4-12-32(29,30)26-22(10-11-22)16-7-8-17(23)18(13-16)31-14-15-5-6-15/h7-8,13,15,26H,2-6,9-12,14H2,1H3,(H2,24,25,27,28)/t21-/m0/s1
InChIKeyMQFXGEQQGWVIJH-NRFANRHFSA-N
XLogP2.68
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 52.68
H-Bond Donors ≤ 53
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-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide (CID 134553899) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide is C[C@@]1(CCCCCS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide?
The InChIKey is MQFXGEQQGWVIJH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30FN3O5S/c1-21(19(27)24-20(28)25-21)9-3-2-4-12-32(29,30)26-22(10-11-22)16-7-8-17(23)18(13-16)31-14-15-5-6-15/h7-8,13,15,26H,2-6,9-12,14H2,1H3,(H2,24,25,27,28)/t21-/m0/s1.
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide has a molecular weight of 467.56 g/mol, XLogP of 2.68, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]pentane-1-sulfonamide is sourced from PubChem (CID 134553899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).