(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide

C20H33N3O3S — CID 52506578

IUPAC(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C(C)C)N2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)18-11-9-17(10-12-18)15-21-20(24)19(16(3)4)22-13-7-8-14-22/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyKJXYHLKAKJYULS-LJQANCHMSA-N
MW395.57 g/mol
LogP2.45
Rot. Bonds9

About (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide

(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide (PubChem CID 52506578) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
PubChem CID52506578
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C(C)C)N2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)18-11-9-17(10-12-18)15-21-20(24)19(16(3)4)22-13-7-8-14-22/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyKJXYHLKAKJYULS-LJQANCHMSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
(2S)-2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119691062
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
CID 120983914
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 136526696
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 47076520
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide (CID 52506578) is (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C(C)C)N2CCCC2)cc1.
What is the InChIKey of (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
The InChIKey is KJXYHLKAKJYULS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)18-11-9-17(10-12-18)15-21-20(24)19(16(3)4)22-13-7-8-14-22/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide?
(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide has a molecular weight of 395.57 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 52506578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).