2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride

C14H24Cl2N4O3S — CID 119864412

IUPAC2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-11(15)14(19)16-12-4-3-5-13(10-12)22(20,21)18-8-6-17(2)7-9-18;;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19);2*1H
InChIKeyRZUHPVBSRZWKAR-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.75
Rot. Bonds4

About 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride

2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride (PubChem CID 119864412) has the molecular formula C14H24Cl2N4O3S and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
PubChem CID119864412
Molecular FormulaC14H24Cl2N4O3S
Molecular Weight399.34 g/mol
Exact Mass398.09
IUPAC Name2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
SMILESCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C14H22N4O3S.2ClH/c1-11(15)14(19)16-12-4-3-5-13(10-12)22(20,21)18-8-6-17(2)7-9-18;;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19);2*1H
InChIKeyRZUHPVBSRZWKAR-UHFFFAOYSA-N
XLogP0.75
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2S)-2-amino-3,3-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]butanamide
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2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
CID 119876362
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119341505
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]benzamide;dihydrochloride
CID 119876383
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride (CID 119864412) is 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride is CC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride?
The InChIKey is RZUHPVBSRZWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S.2ClH/c1-11(15)14(19)16-12-4-3-5-13(10-12)22(20,21)18-8-6-17(2)7-9-18;;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride?
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride has a molecular weight of 399.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119864412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).