3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide

C19H25N5O3S — CID 143632110

IUPAC3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
SMILESCS(=O)(=O)NCCC(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)21-11-8-19(25)22-16-2-4-17(5-3-16)23-12-14-24(15-13-23)18-6-9-20-10-7-18/h2-7,9-10,21H,8,11-15H2,1H3,(H,22,25)
InChIKeyQCGJHOWJASACRA-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.29
Rot. Bonds7

About 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide

3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide (PubChem CID 143632110) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
PubChem CID143632110
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
SMILESCS(=O)(=O)NCCC(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C19H25N5O3S/c1-28(26,27)21-11-8-19(25)22-16-2-4-17(5-3-16)23-12-14-24(15-13-23)18-6-9-20-10-7-18/h2-7,9-10,21H,8,11-15H2,1H3,(H,22,25)
InChIKeyQCGJHOWJASACRA-UHFFFAOYSA-N
XLogP1.29
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 78792145
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid
CID 15383406
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-[(4-methoxy-2,6-dimethylphenyl)sulfanyl-methylamino]-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
CID 88871441

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide (CID 143632110) is 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide is CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is QCGJHOWJASACRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-28(26,27)21-11-8-19(25)22-16-2-4-17(5-3-16)23-12-14-24(15-13-23)18-6-9-20-10-7-18/h2-7,9-10,21H,8,11-15H2,1H3,(H,22,25).
What are the key properties of 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide?
3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 143632110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).