N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide

C16H22N4O5S — CID 110205196

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H22N4O5S/c1-19(2)26(24,25)11-10-17-14(21)9-8-13-15(22)20(16(23)18-13)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,18,23)/t13-/m0/s1
InChIKeyFFOZIMLYSCGFCB-ZDUSSCGKSA-N
MW382.44 g/mol
LogP-0.10
Rot. Bonds8

About N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide

N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide (PubChem CID 110205196) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
PubChem CID110205196
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H22N4O5S/c1-19(2)26(24,25)11-10-17-14(21)9-8-13-15(22)20(16(23)18-13)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,18,23)/t13-/m0/s1
InChIKeyFFOZIMLYSCGFCB-ZDUSSCGKSA-N
XLogP-0.10
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide (CID 110205196) is N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide is CN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide?
The InChIKey is FFOZIMLYSCGFCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-19(2)26(24,25)11-10-17-14(21)9-8-13-15(22)20(16(23)18-13)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,18,23)/t13-/m0/s1.
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide has a molecular weight of 382.44 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanamide is sourced from PubChem (CID 110205196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).