N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C14H21N3O3S — CID 119969812

IUPACN-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2C)cc1
InChIInChI=1S/C14H21N3O3S/c1-3-14(18)16-12-4-6-13(7-5-12)21(19,20)17-9-8-15-10-11(17)2/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyKEUFVFDNJVEHJY-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.02
Rot. Bonds4

About N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide

N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 119969812) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID119969812
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2C)cc1
InChIInChI=1S/C14H21N3O3S/c1-3-14(18)16-12-4-6-13(7-5-12)21(19,20)17-9-8-15-10-11(17)2/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyKEUFVFDNJVEHJY-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
ethyl 4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120716936
ethyl 4-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119969997
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 119969812) is N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2C)cc1.
What is the InChIKey of N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is KEUFVFDNJVEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-14(18)16-12-4-6-13(7-5-12)21(19,20)17-9-8-15-10-11(17)2/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 119969812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).