N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C16H26N4O3S+2 — CID 7436765

IUPACN-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-19-8-10-20(11-9-19)12-16(21)17-13-4-6-15(7-5-13)24(22,23)18-14-2-3-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,17,21)/p+2
InChIKeyZEEQNPDZRLIOOA-UHFFFAOYSA-P
MW354.48 g/mol
LogP-2.52
Rot. Bonds6

About N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 7436765) has the molecular formula C16H26N4O3S+2 and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID7436765
Molecular FormulaC16H26N4O3S+2
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-19-8-10-20(11-9-19)12-16(21)17-13-4-6-15(7-5-13)24(22,23)18-14-2-3-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,17,21)/p+2
InChIKeyZEEQNPDZRLIOOA-UHFFFAOYSA-P
XLogP-2.52
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 5-2.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 6971322
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 8901828
N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
CID 7195986
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 7436765) is N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is C[NH+]1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is ZEEQNPDZRLIOOA-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H24N4O3S/c1-19-8-10-20(11-9-19)12-16(21)17-13-4-6-15(7-5-13)24(22,23)18-14-2-3-14/h4-7,14,18H,2-3,8-12H2,1H3,(H,17,21)/p+2.
What are the key properties of N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 354.48 g/mol, XLogP of -2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 7436765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).