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

C20H24N4O5S — CID 110205776

IUPACN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C20H24N4O5S/c1-23(2)30(28,29)13-12-21-18(25)11-10-16-19(26)24(20(27)22-16)17-9-5-7-14-6-3-4-8-15(14)17/h3-9,16H,10-13H2,1-2H3,(H,21,25)(H,22,27)/t16-/m0/s1
InChIKeyAAFLTTCPBLUCHP-INIZCTEOSA-N
MW432.50 g/mol
LogP1.05
Rot. Bonds8

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

N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 110205776) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID110205776
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C20H24N4O5S/c1-23(2)30(28,29)13-12-21-18(25)11-10-16-19(26)24(20(27)22-16)17-9-5-7-14-6-3-4-8-15(14)17/h3-9,16H,10-13H2,1-2H3,(H,21,25)(H,22,27)/t16-/m0/s1
InChIKeyAAFLTTCPBLUCHP-INIZCTEOSA-N
XLogP1.05
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclopentyl]-3-naphthalen-1-yl-urea
CID 44381896
dansylPQRamide
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CID 11948912
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 2646023
US10300074, Compd 18
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Glycyl-prolyl-methionyl-2-naphthylamide
CID 125596
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CID 53240199
(5S)-5-cyclopropyl-3-naphthalen-1-ylimidazolidine-2,4-dione
CID 94553450
(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
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(S)-5-(3-(4-methylpiperazin-1-yl)-3-oxopropyl)-3-(naphthalen-1-yl)imidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 110205776) is N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is CN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is AAFLTTCPBLUCHP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-23(2)30(28,29)13-12-21-18(25)11-10-16-19(26)24(20(27)22-16)17-9-5-7-14-6-3-4-8-15(14)17/h3-9,16H,10-13H2,1-2H3,(H,21,25)(H,22,27)/t16-/m0/s1.
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[2-(dimethylsulfamoyl)ethyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 432.50 g/mol, XLogP of 1.05, 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)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 110205776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).