3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

C20H26N4O3S — CID 55359461

IUPAC3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-23-13-15-24(16-14-23)19-10-6-5-9-18(19)22-20(25)11-12-21-28(26,27)17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3,(H,22,25)
InChIKeyMFEGXXMSDWRXEH-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.75
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 55359461) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID55359461
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-23-13-15-24(16-14-23)19-10-6-5-9-18(19)22-20(25)11-12-21-28(26,27)17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3,(H,22,25)
InChIKeyMFEGXXMSDWRXEH-UHFFFAOYSA-N
XLogP1.75
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
CID 9205175
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-(benzenesulfonamido)-N-[2-(4-methylbenzoyl)phenyl]propanamide
CID 86807944
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46807132
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 55359461) is 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is CN1CCN(c2ccccc2NC(=O)CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is MFEGXXMSDWRXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-23-13-15-24(16-14-23)19-10-6-5-9-18(19)22-20(25)11-12-21-28(26,27)17-7-3-2-4-8-17/h2-10,21H,11-16H2,1H3,(H,22,25).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 402.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55359461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).