2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C21H32N4O6S — CID 55428478

IUPAC2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H32N4O6S/c1-30-13-3-8-22-20(26)15-24-9-11-25(12-10-24)21(27)16-4-7-18(31-2)19(14-16)32(28,29)23-17-5-6-17/h4,7,14,17,23H,3,5-6,8-13,15H2,1-2H3,(H,22,26)
InChIKeyPEGYJODYXKKLGC-UHFFFAOYSA-N
MW468.58 g/mol
LogP0.05
Rot. Bonds11

About 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55428478) has the molecular formula C21H32N4O6S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55428478
Molecular FormulaC21H32N4O6S
Molecular Weight468.58 g/mol
Exact Mass468.20
IUPAC Name2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H32N4O6S/c1-30-13-3-8-22-20(26)15-24-9-11-25(12-10-24)21(27)16-4-7-18(31-2)19(14-16)32(28,29)23-17-5-6-17/h4,7,14,17,23H,3,5-6,8-13,15H2,1-2H3,(H,22,26)
InChIKeyPEGYJODYXKKLGC-UHFFFAOYSA-N
XLogP0.05
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-cyclopentyl-2-methoxy-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55644273
2-[4-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566418
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-(3-methoxypropyl)-2-[4-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperazin-1-yl]acetamide
CID 55428456
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55428478) is 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1.
What is the InChIKey of 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is PEGYJODYXKKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O6S/c1-30-13-3-8-22-20(26)15-24-9-11-25(12-10-24)21(27)16-4-7-18(31-2)19(14-16)32(28,29)23-17-5-6-17/h4,7,14,17,23H,3,5-6,8-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 0.05, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55428478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).