3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C25H34N4O4S — CID 99968168

IUPAC3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H34N4O4S/c1-25(2,3)27-34(32,33)22-12-5-19(6-13-22)7-14-23(30)26-21-10-8-20(9-11-21)24(31)29-17-15-28(4)16-18-29/h5-6,8-13,27H,7,14-18H2,1-4H3,(H,26,30)
InChIKeyMGVGTSZHODWNQH-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.72
Rot. Bonds7

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 99968168) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID99968168
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H34N4O4S/c1-25(2,3)27-34(32,33)22-12-5-19(6-13-22)7-14-23(30)26-21-10-8-20(9-11-21)24(31)29-17-15-28(4)16-18-29/h5-6,8-13,27H,7,14-18H2,1-4H3,(H,26,30)
InChIKeyMGVGTSZHODWNQH-UHFFFAOYSA-N
XLogP2.72
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 132685123
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 99968197
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 99968168) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is MGVGTSZHODWNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-25(2,3)27-34(32,33)22-12-5-19(6-13-22)7-14-23(30)26-21-10-8-20(9-11-21)24(31)29-17-15-28(4)16-18-29/h5-6,8-13,27H,7,14-18H2,1-4H3,(H,26,30).
What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 486.64 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 99968168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).