(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide

C22H29N3O5S — CID 153312136

IUPAC(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide
SMILESC[C@H]1C(=O)NC(=O)N1C/C=C/CCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C22H29N3O5S/c1-16-20(26)23-21(27)25(16)12-3-2-4-13-31(28,29)24-22(10-11-22)18-6-5-7-19(14-18)30-15-17-8-9-17/h2-3,5-7,14,16-17,24H,4,8-13,15H2,1H3,(H,23,26,27)/b3-2+/t16-/m0/s1
InChIKeyNAYHSWPGJJHFMH-KZSQQDEKSA-N
MW447.56 g/mol
LogP2.27
Rot. Bonds11

About (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide

(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide (PubChem CID 153312136) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide
PubChem CID153312136
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide
SMILESC[C@H]1C(=O)NC(=O)N1C/C=C/CCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C22H29N3O5S/c1-16-20(26)23-21(27)25(16)12-3-2-4-13-31(28,29)24-22(10-11-22)18-6-5-7-19(14-18)30-15-17-8-9-17/h2-3,5-7,14,16-17,24H,4,8-13,15H2,1H3,(H,23,26,27)/b3-2+/t16-/m0/s1
InChIKeyNAYHSWPGJJHFMH-KZSQQDEKSA-N
XLogP2.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]pentane-1-sulfonamide
CID 155370193
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 140886486
(E)-N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pent-3-ene-1-sulfonamide
CID 162462714
(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide
CID 134543324
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-5-(2,4-dioxopyrimidin-1-yl)pent-3-ene-1-sulfonamide
CID 67022213
N-[1-[3-(cyclopropylmethoxy)phenyl]ethyl]-5-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)pent-3-ene-1-sulfonamide
CID 123847966
N-[[(E)-5-[[1-[3-(2,2-difluoroethoxy)phenyl]cyclopropyl]sulfamoyl]pent-2-enyl]-ethylcarbamoyl]formamide
CID 155370244
1-[(E)-5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpent-2-enyl]-1,3-diazinane-2,4-dione
CID 149387417
(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione
CID 147645498
N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]but-3-ene-1-sulfonamide
CID 162462712
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
CID 134553638
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]but-3-ene-1-sulfonamide
CID 134541356

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide?
The IUPAC name of (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide (CID 153312136) is (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide is C[C@H]1C(=O)NC(=O)N1C/C=C/CCS(=O)(=O)NC1(c2cccc(OCC3CC3)c2)CC1.
What is the InChIKey of (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide?
The InChIKey is NAYHSWPGJJHFMH-KZSQQDEKSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16-20(26)23-21(27)25(16)12-3-2-4-13-31(28,29)24-22(10-11-22)18-6-5-7-19(14-18)30-15-17-8-9-17/h2-3,5-7,14,16-17,24H,4,8-13,15H2,1H3,(H,23,26,27)/b3-2+/t16-/m0/s1.
What are the key properties of (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide?
(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide has a molecular weight of 447.56 g/mol, XLogP of 2.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide is sourced from PubChem (CID 153312136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).