N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide

C18H27N3O4S — CID 99785364

IUPACN-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide
SMILESCC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H27N3O4S/c1-5-15-7-6-12-21(15)18(23)17(22)19-13(2)14-8-10-16(11-9-14)26(24,25)20(3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyZKXDRSRKKHJFAS-ZFWWWQNUSA-N
MW381.50 g/mol
LogP1.52
Rot. Bonds5

About N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide

N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 99785364) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide
PubChem CID99785364
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide
SMILESCC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H27N3O4S/c1-5-15-7-6-12-21(15)18(23)17(22)19-13(2)14-8-10-16(11-9-14)26(24,25)20(3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,22)/t13-,15-/m0/s1
InChIKeyZKXDRSRKKHJFAS-ZFWWWQNUSA-N
XLogP1.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 39086658
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 55412916
2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108510763
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 167843901
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608
1-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299101
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 63298736
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125076333
3-(dimethylsulfamoyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626406

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide (CID 99785364) is N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide is CC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is ZKXDRSRKKHJFAS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-5-15-7-6-12-21(15)18(23)17(22)19-13(2)14-8-10-16(11-9-14)26(24,25)20(3)4/h8-11,13,15H,5-7,12H2,1-4H3,(H,19,22)/t13-,15-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide?
N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 381.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 99785364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).