(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide

C20H29N3O6S2 — CID 41137290

IUPAC(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)cc1
InChIInChI=1S/C20H29N3O6S2/c1-4-22(5-2)31(28,29)17-8-6-16(7-9-17)23-13-15(12-18(23)24)19(25)21-20(3)10-11-30(26,27)14-20/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,25)/t15-,20+/m0/s1
InChIKeyNSOGRHRWMLBUBQ-MGPUTAFESA-N
MW471.60 g/mol
LogP0.76
Rot. Bonds7

About (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 41137290) has the molecular formula C20H29N3O6S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID41137290
Molecular FormulaC20H29N3O6S2
Molecular Weight471.60 g/mol
Exact Mass471.15
IUPAC Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)cc1
InChIInChI=1S/C20H29N3O6S2/c1-4-22(5-2)31(28,29)17-8-6-16(7-9-17)23-13-15(12-18(23)24)19(25)21-20(3)10-11-30(26,27)14-20/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,25)/t15-,20+/m0/s1
InChIKeyNSOGRHRWMLBUBQ-MGPUTAFESA-N
XLogP0.76
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 31824190
(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
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3S)-1-(3-bromophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 51935549
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55638396
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 41137290) is (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2=O)cc1.
What is the InChIKey of (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NSOGRHRWMLBUBQ-MGPUTAFESA-N. The full InChI is InChI=1S/C20H29N3O6S2/c1-4-22(5-2)31(28,29)17-8-6-16(7-9-17)23-13-15(12-18(23)24)19(25)21-20(3)10-11-30(26,27)14-20/h6-9,15H,4-5,10-14H2,1-3H3,(H,21,25)/t15-,20+/m0/s1.
What are the key properties of (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41137290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).