N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide

C18H25N3O5S — CID 113098047

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide
SMILESCOc1ccc(C)cc1S(=O)(=O)C(=O)NCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H25N3O5S/c1-13-3-6-15(26-2)16(11-13)27(24,25)18(23)19-12-17(22)21-9-7-20(8-10-21)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,19,23)
InChIKeyQZYKLUBLRWSQEQ-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide (PubChem CID 113098047) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide
PubChem CID113098047
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide
SMILESCOc1ccc(C)cc1S(=O)(=O)C(=O)NCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H25N3O5S/c1-13-3-6-15(26-2)16(11-13)27(24,25)18(23)19-12-17(22)21-9-7-20(8-10-21)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,19,23)
InChIKeyQZYKLUBLRWSQEQ-UHFFFAOYSA-N
XLogP0.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide
CID 113098017
methyl 2-[[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]amino]-2-oxoacetate
CID 113098020
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-phenylethylsulfonyl)formamide
CID 113098055
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837
N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42948890
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
2-(4-tert-butylphenyl)-N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxoacetamide
CID 113097989
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 143075390
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide (CID 113098047) is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide is COc1ccc(C)cc1S(=O)(=O)C(=O)NCC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide?
The InChIKey is QZYKLUBLRWSQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-13-3-6-15(26-2)16(11-13)27(24,25)18(23)19-12-17(22)21-9-7-20(8-10-21)14-4-5-14/h3,6,11,14H,4-5,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide?
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide has a molecular weight of 395.48 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide is sourced from PubChem (CID 113098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).