N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide

C17H28N4O3S — CID 55660415

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
SMILESCCN1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C17H28N4O3S/c1-3-20-10-12-21(13-11-20)9-5-8-18-17(22)15-6-4-7-16(14-15)19-25(2,23)24/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,18,22)
InChIKeyTYEGSBPYRNYDPF-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.82
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide (PubChem CID 55660415) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
PubChem CID55660415
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
SMILESCCN1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C17H28N4O3S/c1-3-20-10-12-21(13-11-20)9-5-8-18-17(22)15-6-4-7-16(14-15)19-25(2,23)24/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,18,22)
InChIKeyTYEGSBPYRNYDPF-UHFFFAOYSA-N
XLogP0.82
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
3-[(4-ethoxyphenyl)sulfonylamino]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660110
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[3-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55660173
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656521
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide (CID 55660415) is N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide is CCN1CCN(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide?
The InChIKey is TYEGSBPYRNYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-3-20-10-12-21(13-11-20)9-5-8-18-17(22)15-6-4-7-16(14-15)19-25(2,23)24/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide has a molecular weight of 368.50 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55660415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).