N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide

C13H20N4O3S — CID 61251789

IUPACN-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C13H20N4O3S/c1-10-3-4-12(15-11(2)18)9-13(10)16-21(19,20)17-7-5-14-6-8-17/h3-4,9,14,16H,5-8H2,1-2H3,(H,15,18)
InChIKeyUZOITCCCUYSGLX-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.52
Rot. Bonds4

About N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide

N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide (PubChem CID 61251789) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
PubChem CID61251789
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C13H20N4O3S/c1-10-3-4-12(15-11(2)18)9-13(10)16-21(19,20)17-7-5-14-6-8-17/h3-4,9,14,16H,5-8H2,1-2H3,(H,15,18)
InChIKeyUZOITCCCUYSGLX-UHFFFAOYSA-N
XLogP0.52
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
N-(4-methyl-3-pyridinyl)piperazine-1-sulfonamide
CID 55203430
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571
N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
CID 61253139
2-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61251958
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
CID 116675089
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide (CID 61251789) is N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide is CC(=O)Nc1ccc(C)c(NS(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
The InChIKey is UZOITCCCUYSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10-3-4-12(15-11(2)18)9-13(10)16-21(19,20)17-7-5-14-6-8-17/h3-4,9,14,16H,5-8H2,1-2H3,(H,15,18).
What are the key properties of N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide?
N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 61251789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).