N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C21H29ClN4O6S — CID 4070556

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O
InChIInChI=1S/C21H29ClN4O6S/c1-3-7-21(8-4-2)19(28)26(20(29)24-21)14-18(27)23-15-5-6-16(22)17(13-15)33(30,31)25-9-11-32-12-10-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyALQQKUXLMBIIOO-UHFFFAOYSA-N
MW501.01 g/mol
LogP2.19
Rot. Bonds9

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 4070556) has the molecular formula C21H29ClN4O6S and a molecular weight of 501.01 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID4070556
Molecular FormulaC21H29ClN4O6S
Molecular Weight501.01 g/mol
Exact Mass500.15
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O
InChIInChI=1S/C21H29ClN4O6S/c1-3-7-21(8-4-2)19(28)26(20(29)24-21)14-18(27)23-15-5-6-16(22)17(13-15)33(30,31)25-9-11-32-12-10-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyALQQKUXLMBIIOO-UHFFFAOYSA-N
XLogP2.19
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629426
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038065
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16544867
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41124220
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25401326
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
1-butyl-3-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 8668652
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3,5-difluoro-N-methylbenzamide
CID 26729952
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 4070556) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is ALQQKUXLMBIIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O6S/c1-3-7-21(8-4-2)19(28)26(20(29)24-21)14-18(27)23-15-5-6-16(22)17(13-15)33(30,31)25-9-11-32-12-10-25/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 501.01 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4070556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).