(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide

C19H26N2O4S — CID 52515314

IUPAC(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CC1
InChIInChI=1S/C19H26N2O4S/c1-14(16-6-7-16)11-19(22)20-12-15-4-8-18(9-5-15)26(23,24)21-13-17-3-2-10-25-17/h4-5,8-9,11,16-17,21H,2-3,6-7,10,12-13H2,1H3,(H,20,22)/b14-11-/t17-/m1/s1
InChIKeyIYKYVTXQCHFPOB-VWILAXROSA-N
MW378.49 g/mol
LogP2.12
Rot. Bonds8

About (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide

(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide (PubChem CID 52515314) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
PubChem CID52515314
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CC1
InChIInChI=1S/C19H26N2O4S/c1-14(16-6-7-16)11-19(22)20-12-15-4-8-18(9-5-15)26(23,24)21-13-17-3-2-10-25-17/h4-5,8-9,11,16-17,21H,2-3,6-7,10,12-13H2,1H3,(H,20,22)/b14-11-/t17-/m1/s1
InChIKeyIYKYVTXQCHFPOB-VWILAXROSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 110917508
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
(2S)-2-amino-3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296363
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 47058818
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
1-tert-butyl-2-methyl-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine
CID 110965313
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
2-methyl-1-(2-methylcyclopropyl)-3-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111962082

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide?
The IUPAC name of (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide (CID 52515314) is (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide.
What is the SMILES notation for (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide?
The canonical SMILES for (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide is C/C(=C/C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide?
The InChIKey is IYKYVTXQCHFPOB-VWILAXROSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14(16-6-7-16)11-19(22)20-12-15-4-8-18(9-5-15)26(23,24)21-13-17-3-2-10-25-17/h4-5,8-9,11,16-17,21H,2-3,6-7,10,12-13H2,1H3,(H,20,22)/b14-11-/t17-/m1/s1.
What are the key properties of (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide?
(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide has a molecular weight of 378.49 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide is sourced from PubChem (CID 52515314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).