(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C18H25N3O4S — CID 40972180

IUPAC(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C18H25N3O4S/c1-4-11-19-18(23)14-12-17(22)21(13-14)15-7-9-16(10-8-15)26(24,25)20(5-2)6-3/h4,7-10,14H,1,5-6,11-13H2,2-3H3,(H,19,23)/t14-/m0/s1
InChIKeyAPDOHQKUSLVZOG-AWEZNQCLSA-N
MW379.48 g/mol
LogP1.37
Rot. Bonds8

About (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 40972180) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID40972180
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C18H25N3O4S/c1-4-11-19-18(23)14-12-17(22)21(13-14)15-7-9-16(10-8-15)26(24,25)20(5-2)6-3/h4,7-10,14H,1,5-6,11-13H2,2-3H3,(H,19,23)/t14-/m0/s1
InChIKeyAPDOHQKUSLVZOG-AWEZNQCLSA-N
XLogP1.37
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 40972180) is (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1.
What is the InChIKey of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is APDOHQKUSLVZOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-4-11-19-18(23)14-12-17(22)21(13-14)15-7-9-16(10-8-15)26(24,25)20(5-2)6-3/h4,7-10,14H,1,5-6,11-13H2,2-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40972180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).