N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide

C20H30N4O5S — CID 98369094

IUPACN-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)C1=O
InChIInChI=1S/C20H30N4O5S/c1-5-6-7-8-9-12-20(3)18(26)24(19(27)21-20)22-17(25)15-11-10-14(2)16(13-15)23-30(4,28)29/h10-11,13,23H,5-9,12H2,1-4H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyVWQFERGHZVAGRX-FQEVSTJZSA-N
MW438.55 g/mol
LogP2.68
Rot. Bonds10

About N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide

N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 98369094) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID98369094
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)C1=O
InChIInChI=1S/C20H30N4O5S/c1-5-6-7-8-9-12-20(3)18(26)24(19(27)21-20)22-17(25)15-11-10-14(2)16(13-15)23-30(4,28)29/h10-11,13,23H,5-9,12H2,1-4H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyVWQFERGHZVAGRX-FQEVSTJZSA-N
XLogP2.68
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide (CID 98369094) is N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide is CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)C1=O.
What is the InChIKey of N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is VWQFERGHZVAGRX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-5-6-7-8-9-12-20(3)18(26)24(19(27)21-20)22-17(25)15-11-10-14(2)16(13-15)23-30(4,28)29/h10-11,13,23H,5-9,12H2,1-4H3,(H,21,27)(H,22,25)/t20-/m0/s1.
What are the key properties of N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 2.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 98369094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).