N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide

C19H30N4O4S — CID 34217753

IUPACN,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-5-21(6-2)19(25)23-13-11-22(12-14-23)18(24)15-20(4)28(26,27)17-9-7-16(3)8-10-17/h7-10H,5-6,11-15H2,1-4H3
InChIKeyXUILJBIJRBQTER-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.22
Rot. Bonds6

About N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide (PubChem CID 34217753) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
PubChem CID34217753
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC NameN,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-5-21(6-2)19(25)23-13-11-22(12-14-23)18(24)15-20(4)28(26,27)17-9-7-16(3)8-10-17/h7-10H,5-6,11-15H2,1-4H3
InChIKeyXUILJBIJRBQTER-UHFFFAOYSA-N
XLogP1.22
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 5026377
N,4-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 24537457
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
4-ethoxy-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 3163384
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2941900
N-[4-[[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 32501120

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide (CID 34217753) is N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide?
The InChIKey is XUILJBIJRBQTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-5-21(6-2)19(25)23-13-11-22(12-14-23)18(24)15-20(4)28(26,27)17-9-7-16(3)8-10-17/h7-10H,5-6,11-15H2,1-4H3.
What are the key properties of N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 34217753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).