N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide

C26H33N5O4S — CID 59292391

IUPACN-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNS(=O)(=O)C(C)C)c1=O
InChIInChI=1S/C26H33N5O4S/c1-19(2)36(34,35)28-15-18-30-24(25(32)29-16-13-27-14-17-29)23(21-10-5-4-6-11-21)31(26(30)33)22-12-8-7-9-20(22)3/h4-12,19,27-28H,13-18H2,1-3H3
InChIKeyOZRGXIYQZMJYGZ-UHFFFAOYSA-N
MW511.65 g/mol
LogP1.99
Rot. Bonds8

About N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide

N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide (PubChem CID 59292391) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide
PubChem CID59292391
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC NameN-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNS(=O)(=O)C(C)C)c1=O
InChIInChI=1S/C26H33N5O4S/c1-19(2)36(34,35)28-15-18-30-24(25(32)29-16-13-27-14-17-29)23(21-10-5-4-6-11-21)31(26(30)33)22-12-8-7-9-20(22)3/h4-12,19,27-28H,13-18H2,1-3H3
InChIKeyOZRGXIYQZMJYGZ-UHFFFAOYSA-N
XLogP1.99
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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AZ12260493
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2-[4-(3-Phenyl-ureido)-piperidin-1-yl]-N-o-tolyl-acetamide
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N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
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N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-o-tolyl-methanesulfonamide
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CID 6466750
2-[3,5-dimethyl-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]-N-(2,3-dimethylphenyl)acetamide
CID 16008208
4-ethyl-N-(2-((4-ethylphenyl)amino)-2-oxoethyl)-N-tosylpiperazine-1-carboxamide
CID 18580949
N-(2-Amino-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
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4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-N-phenylpiperazine-1-carboxamide
CID 166631868
4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]anilino]-N,N-dimethylpiperidine-1-carboxamide
CID 89659481
6-methyl-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide (CID 59292391) is N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide is Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNS(=O)(=O)C(C)C)c1=O.
What is the InChIKey of N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide?
The InChIKey is OZRGXIYQZMJYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-19(2)36(34,35)28-15-18-30-24(25(32)29-16-13-27-14-17-29)23(21-10-5-4-6-11-21)31(26(30)33)22-12-8-7-9-20(22)3/h4-12,19,27-28H,13-18H2,1-3H3.
What are the key properties of N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide?
N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide has a molecular weight of 511.65 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 59292391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).