N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H23BrN4O5S — CID 155560182

IUPACN-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)C1=O
InChIInChI=1S/C19H23BrN4O5S/c1-19(12-4-5-12)17(26)24(18(27)22-19)11-16(25)21-13-6-7-14(20)15(10-13)30(28,29)23-8-2-3-9-23/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,25)(H,22,27)/t19-/m0/s1
InChIKeyMRADVJWFCVGIRG-IBGZPJMESA-N
MW499.39 g/mol
LogP1.89
Rot. Bonds6

About N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 155560182) has the molecular formula C19H23BrN4O5S and a molecular weight of 499.39 g/mol. Its IUPAC name is N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID155560182
Molecular FormulaC19H23BrN4O5S
Molecular Weight499.39 g/mol
Exact Mass498.06
IUPAC NameN-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)C1=O
InChIInChI=1S/C19H23BrN4O5S/c1-19(12-4-5-12)17(26)24(18(27)22-19)11-16(25)21-13-6-7-14(20)15(10-13)30(28,29)23-8-2-3-9-23/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,25)(H,22,27)/t19-/m0/s1
InChIKeyMRADVJWFCVGIRG-IBGZPJMESA-N
XLogP1.89
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.39
LogP ≤ 51.89
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

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41022293
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16544865
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
N-(4-amino-3,5-dichlorophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46665102
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
CID 136549427
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40666947
methyl 4-[[2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7619230

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 155560182) is N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Br)c(S(=O)(=O)N3CCCC3)c2)C1=O.
What is the InChIKey of N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is MRADVJWFCVGIRG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23BrN4O5S/c1-19(12-4-5-12)17(26)24(18(27)22-19)11-16(25)21-13-6-7-14(20)15(10-13)30(28,29)23-8-2-3-9-23/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,25)(H,22,27)/t19-/m0/s1.
What are the key properties of N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 499.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 155560182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).