N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide

C17H26N4O4S — CID 119888627

IUPACN-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H26N4O4S/c1-20-7-9-21(10-8-20)26(23,24)16-5-3-2-4-14(16)12-19-17(22)15-13-18-6-11-25-15/h2-5,15,18H,6-13H2,1H3,(H,19,22)
InChIKeyHDUYIAQTULQNCG-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.77
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide

N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide (PubChem CID 119888627) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
PubChem CID119888627
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2CNCCO2)CC1
InChIInChI=1S/C17H26N4O4S/c1-20-7-9-21(10-8-20)26(23,24)16-5-3-2-4-14(16)12-19-17(22)15-13-18-6-11-25-15/h2-5,15,18H,6-13H2,1H3,(H,19,22)
InChIKeyHDUYIAQTULQNCG-UHFFFAOYSA-N
XLogP-0.77
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
(2S,5R)-5-(aminomethyl)-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120800723
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124704379
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920799
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119888604
3-amino-2-methyl-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 120504037
(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
CID 124743243
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 119888625
2-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide;dihydrochloride
CID 119947260

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide (CID 119888627) is N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide is CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2CNCCO2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide?
The InChIKey is HDUYIAQTULQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-20-7-9-21(10-8-20)26(23,24)16-5-3-2-4-14(16)12-19-17(22)15-13-18-6-11-25-15/h2-5,15,18H,6-13H2,1H3,(H,19,22).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119888627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).